![9C9 9C9](https://data.pdbj.org/pdbjplus/data/cc/svg/9C9.svg) | 9C9 | Name: | 2-[(3Z,6R)-6-[(2,6-dichlorophenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxo-1,4-diazepan-1-yl]-N-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]acetamide | Formula: | C26 H29 Cl2 N7 O2 | SMILES: | C1(N(CC(/NCC1Cc2c(Cl)cccc2Cl)=N/N(C)C)CC(=O)Nc4cc(c3cnn(C)c3)ccc4)=O | InChi: | InChI=1S/C26H29Cl2N7O2/c1-33(2)32-24-15-35(26(37)18(12-29-24)11-21-22(27)8-5-9-23(21)28)16-25(36)31-20-7-4-6-17(10-20)19-13-30-34(3)14-19/h4-10,13-14,18H,11-12,15-16H2,1-3H3,(H,29,32)(H,31,36)/t18-/m1/s1 | Definition date: | 2018-03-13 | Last modified: | 2018-06-22 | Release date: | 2018-06-27 | Identifier: | 2-[(3Z,6R)-6-[(2,6-dichlorophenyl)methyl]-3-(dimethylhydrazinylidene)-7-oxo-1,4-diazepan-1-yl]-N-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]acetamide |
|
![F48 F48](https://data.pdbj.org/pdbjplus/data/cc/svg/F48.svg) | F48 | Name: | 3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile | Formula: | C21 H21 N5 O | SMILES: | N#CCCc1oc(cc1)c2nc3cnc4[nH]ccc4c3n2C5CCCCC5 | InChi: | InChI=1S/C21H21N5O/c22-11-4-7-15-8-9-18(27-15)21-25-17-13-24-20-16(10-12-23-20)19(17)26(21)14-5-2-1-3-6-14/h8-10,12-14H,1-7H2,(H,23,24) | Definition date: | 2018-05-24 | Last modified: | 2018-06-22 | Release date: | 2018-06-27 | Identifier: | 3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]propanenitrile |
|
![9B3 9B3](https://data.pdbj.org/pdbjplus/data/cc/svg/9B3.svg) | 9B3 | Name: | (2~{S})-2-[(6-azanyl-5-chloranyl-pyridin-3-yl)methyl]-3-selanyl-propanoic acid | Formula: | C9 H11 Cl N2 O2 Se | SMILES: | Nc1ncc(C[CH](C[SeH])C(O)=O)cc1Cl | InChi: | InChI=1S/C9H11ClN2O2Se/c10-7-2-5(3-12-8(7)11)1-6(4-15)9(13)14/h2-3,6,15H,1,4H2,(H2,11,12)(H,13,14)/t6-/m1/s1 | Definition date: | 2018-03-01 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | (2~{S})-2-[(6-azanyl-5-chloranyl-pyridin-3-yl)methyl]-3-selanyl-propanoic acid |
|
![9ER 9ER](https://data.pdbj.org/pdbjplus/data/cc/svg/9ER.svg) | 9ER | Name: | N1,N1-dimethyl-N2-[(pyridin-3-yl)methyl]-N2-{4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl}ethane-1,2-diamine | Formula: | C28 H40 N4 S | SMILES: | CC(C)c1cc(C(C)C)cc(c1c2nc(sc2)N(Cc3cnccc3)CCN(C)C)C(C)C | InChi: | InChI=1S/C28H40N4S/c1-19(2)23-14-24(20(3)4)27(25(15-23)21(5)6)26-18-33-28(30-26)32(13-12-31(7)8)17-22-10-9-11-29-16-22/h9-11,14-16,18-21H,12-13,17H2,1-8H3 | Definition date: | 2018-03-29 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | N~1~,N~1~-dimethyl-N~2~-[(pyridin-3-yl)methyl]-N~2~-{4-[2,4,6-tri(propan-2-yl)phenyl]-1,3-thiazol-2-yl}ethane-1,2-diamine |
|
![9NK 9NK](https://data.pdbj.org/pdbjplus/data/cc/svg/9NK.svg) | 9NK | Name: | (2~{R})-1-[(2~{S})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid | Formula: | C16 H21 N O3 S | SMILES: | OC(=O)[CH]1CCCCN1C(=O)[CH](CS)Cc2ccccc2 | InChi: | InChI=1S/C16H21NO3S/c18-15(17-9-5-4-8-14(17)16(19)20)13(11-21)10-12-6-2-1-3-7-12/h1-3,6-7,13-14,21H,4-5,8-11H2,(H,19,20)/t13-,14-/m1/s1 | Definition date: | 2017-06-09 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | (2~{R})-1-[(2~{S})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid |
|
![8CF 8CF](https://data.pdbj.org/pdbjplus/data/cc/svg/8CF.svg) | 8CF | Name: | N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide | Formula: | C19 H17 Cl N2 O5 | SMILES: | CCC(=O)Nc1onc(c2cc(Cl)c(O)cc2O)c1c3ccc(OC)cc3 | InChi: | InChI=1S/C19H17ClN2O5/c1-3-16(25)21-19-17(10-4-6-11(26-2)7-5-10)18(22-27-19)12-8-13(20)15(24)9-14(12)23/h4-9,23-24H,3H2,1-2H3,(H,21,25) | Definition date: | 2017-06-10 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | ~{N}-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide |
|
![8CO 8CO](https://data.pdbj.org/pdbjplus/data/cc/svg/8CO.svg) | 8CO | Name: | N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methyl-propanamide | Formula: | C20 H19 Cl N2 O5 | SMILES: | COc1ccc(cc1)c2c(NC(=O)C(C)C)onc2c3cc(Cl)c(O)cc3O | InChi: | InChI=1S/C20H19ClN2O5/c1-10(2)19(26)22-20-17(11-4-6-12(27-3)7-5-11)18(23-28-20)13-8-14(21)16(25)9-15(13)24/h4-10,24-25H,1-3H3,(H,22,26) | Definition date: | 2017-06-10 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | ~{N}-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methyl-propanamide |
|
![8CR 8CR](https://data.pdbj.org/pdbjplus/data/cc/svg/8CR.svg) | 8CR | Name: | N-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2,2-dimethyl-propanamide | Formula: | C21 H21 Cl N2 O5 | SMILES: | COc1ccc(cc1)c2c(NC(=O)C(C)(C)C)onc2c3cc(Cl)c(O)cc3O | InChi: | InChI=1S/C21H21ClN2O5/c1-21(2,3)20(27)23-19-17(11-5-7-12(28-4)8-6-11)18(24-29-19)13-9-14(22)16(26)10-15(13)25/h5-10,25-26H,1-4H3,(H,23,27) | Definition date: | 2017-06-10 | Last modified: | 2018-06-15 | Release date: | 2018-06-20 | Identifier: | ~{N}-[3-[5-chloranyl-2,4-bis(oxidanyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2,2-dimethyl-propanamide |
|
![9OQ 9OQ](https://data.pdbj.org/pdbjplus/data/cc/svg/9OQ.svg) | 9OQ | Name: | (2~{S})-2-[[(2~{S})-6-[[(2~{S})-2-[[4-[[[(2~{R})-2-[[(2~{R})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid | Formula: | C49 H55 F N8 O16 | SMILES: | OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[CH](Cc1ccc2ccccc2c1)NC(=O)c3ccc(CNC(=O)[CH](CCC(O)=O)NC(=O)[CH](CCC(O)=O)NC(=O)c4ccc(F)nc4)cc3)C(O)=O)C(O)=O | InChi: | InChI=1S/C49H55FN8O16/c50-38-18-14-32(26-52-38)43(66)54-34(16-20-40(61)62)46(69)55-33(15-19-39(59)60)44(67)53-25-27-8-12-30(13-9-27)42(65)56-37(24-28-10-11-29-5-1-2-6-31(29)23-28)45(68)51-22-4-3-7-35(47(70)71)57-49(74)58-36(48(72)73)17-21-41(63)64/h1-2,5-6,8-14,18,23,26,33-37H,3-4,7,15-17,19-22,24-25H2,(H,51,68)(H,53,67)(H,54,66)(H,55,69)(H,56,65)(H,59,60)(H,61,62)(H,63,64)(H,70,71)(H,72,73)(H2,57,58,74)/t33-,34-,35+,36+,37+/m1/s1 | Definition date: | 2017-06-19 | Last modified: | 2018-06-08 | Release date: | 2018-06-13 | Identifier: | (2~{S})-2-[[(2~{S})-6-[[(2~{S})-2-[[4-[[[(2~{R})-2-[[(2~{R})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid |
|
![9OT 9OT](https://data.pdbj.org/pdbjplus/data/cc/svg/9OT.svg) | 9OT | Name: | (2~{S})-2-[[(2~{S})-6-[[(2~{S})-2-[[4-[[[(2~{S})-2-[[(2~{S})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid | Formula: | C49 H55 F N8 O16 | SMILES: | OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[CH](Cc1ccc2ccccc2c1)NC(=O)c3ccc(CNC(=O)[CH](CCC(O)=O)NC(=O)[CH](CCC(O)=O)NC(=O)c4ccc(F)nc4)cc3)C(O)=O)C(O)=O | InChi: | InChI=1S/C49H55FN8O16/c50-38-18-14-32(26-52-38)43(66)54-34(16-20-40(61)62)46(69)55-33(15-19-39(59)60)44(67)53-25-27-8-12-30(13-9-27)42(65)56-37(24-28-10-11-29-5-1-2-6-31(29)23-28)45(68)51-22-4-3-7-35(47(70)71)57-49(74)58-36(48(72)73)17-21-41(63)64/h1-2,5-6,8-14,18,23,26,33-37H,3-4,7,15-17,19-22,24-25H2,(H,51,68)(H,53,67)(H,54,66)(H,55,69)(H,56,65)(H,59,60)(H,61,62)(H,63,64)(H,70,71)(H,72,73)(H2,57,58,74)/t33-,34-,35-,36-,37-/m0/s1 | Definition date: | 2017-06-19 | Last modified: | 2018-06-08 | Release date: | 2018-06-13 | Identifier: | (2~{S})-2-[[(2~{S})-6-[[(2~{S})-2-[[4-[[[(2~{S})-2-[[(2~{S})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid |
|
![9LQ 9LQ](https://data.pdbj.org/pdbjplus/data/cc/svg/9LQ.svg) | 9LQ | Name: | [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid | Formula: | C21 H24 B N3 O4 S | SMILES: | OB(O)c1ccccc1CN2CCCN(CC2)[S](=O)(=O)c3cccc4cnccc34 | InChi: | InChI=1S/C21H24BN3O4S/c26-22(27)20-7-2-1-5-18(20)16-24-11-4-12-25(14-13-24)30(28,29)21-8-3-6-17-15-23-10-9-19(17)21/h1-3,5-10,15,26-27H,4,11-14,16H2 | Definition date: | 2017-06-02 | Last modified: | 2018-06-08 | Release date: | 2018-06-13 | Identifier: | [2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]boronic acid |
|
![9LZ 9LZ](https://data.pdbj.org/pdbjplus/data/cc/svg/9LZ.svg) | 9LZ | Name: | (2~{S})-2-[[(2~{S})-6-[[(2~{S})-2-[[4-[[[(2~{S})-2-[[(2~{R})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-3-sulfo-propanoyl]amino]-3-sulfo-propanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid | Formula: | C45 H51 F N8 O18 S2 | SMILES: | OC(=O)CC[CH](NC(=O)N[CH](CCCCNC(=O)[CH](Cc1ccc2ccccc2c1)NC(=O)c3ccc(CNC(=O)[CH](C[S](O)(=O)=O)NC(=O)[CH](C[S](O)(=O)=O)NC(=O)c4ccc(F)nc4)cc3)C(O)=O)C(O)=O | InChi: | InChI=1S/C45H51FN8O18S2/c46-36-16-14-30(22-48-36)39(58)51-35(24-74(70,71)72)42(61)52-34(23-73(67,68)69)41(60)49-21-25-8-12-28(13-9-25)38(57)50-33(20-26-10-11-27-5-1-2-6-29(27)19-26)40(59)47-18-4-3-7-31(43(62)63)53-45(66)54-32(44(64)65)15-17-37(55)56/h1-2,5-6,8-14,16,19,22,31-35H,3-4,7,15,17-18,20-21,23-24H2,(H,47,59)(H,49,60)(H,50,57)(H,51,58)(H,52,61)(H,55,56)(H,62,63)(H,64,65)(H2,53,54,66)(H,67,68,69)(H,70,71,72)/t31-,32-,33-,34+,35-/m0/s1 | Definition date: | 2017-06-02 | Last modified: | 2018-06-08 | Release date: | 2018-06-13 | Identifier: | (2~{S})-2-[[(2~{S})-6-[[(2~{S})-2-[[4-[[[(2~{S})-2-[[(2~{R})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-3-sulfo-propanoyl]amino]-3-sulfo-propanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid |
|
![AVO AVO](https://data.pdbj.org/pdbjplus/data/cc/svg/AVO.svg) | AVO | Name: | Pyrrolidinohistidine | Formula: | C10 H17 N3 O2 | SMILES: | OC(=O)[CH](Cc1[nH]c[nH+]c1)[NH+]2CCCC2 | InChi: | InChI=1S/C10H15N3O2/c14-10(15)9(13-3-1-2-4-13)5-8-6-11-7-12-8/h6-7,9H,1-5H2,(H,11,12)(H,14,15)/p+2/t9-/m0/s1 | Definition date: | 2018-02-05 | Last modified: | 2018-06-08 | Release date: | 2018-06-13 | Identifier: | (2~{S})-3-(1~{H}-imidazol-3-ium-5-yl)-2-pyrrolidin-1-ium-1-yl-propanoic acid |
|
![DY8 DY8](https://data.pdbj.org/pdbjplus/data/cc/svg/DY8.svg) | DY8 | Name: | Morpholinohistidine | Formula: | C10 H17 N3 O3 | SMILES: | OC(=O)[CH](Cc1[nH]c[nH+]c1)[NH+]2CCOCC2 | InChi: | InChI=1S/C10H15N3O3/c14-10(15)9(5-8-6-11-7-12-8)13-1-3-16-4-2-13/h6-7,9H,1-5H2,(H,11,12)(H,14,15)/p+2/t9-/m0/s1 | Definition date: | 2018-02-05 | Last modified: | 2018-06-08 | Release date: | 2018-06-13 | Identifier: | (2~{S})-3-(1~{H}-imidazol-3-ium-5-yl)-2-morpholin-4-ium-4-yl-propanoic acid |
|
![DYT DYT](https://data.pdbj.org/pdbjplus/data/cc/svg/DYT.svg) | DYT | Name: | (2~{S})-2-chloranyl-3-(1~{H}-imidazol-5-yl)propanoic acid | Formula: | C6 H7 Cl N2 O2 | SMILES: | OC(=O)[CH](Cl)Cc1[nH]cnc1 | InChi: | InChI=1S/C6H7ClN2O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1H2,(H,8,9)(H,10,11)/t5-/m0/s1 | Definition date: | 2018-02-05 | Last modified: | 2018-06-08 | Release date: | 2018-06-13 | Identifier: | (2~{S})-2-chloranyl-3-(1~{H}-imidazol-5-yl)propanoic acid |
|
![9TD 9TD](https://data.pdbj.org/pdbjplus/data/cc/svg/9TD.svg) | 9TD | Name: | 1-carboxy-1-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]azaniumyl}-2-[(3R)-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-ide | Formula: | C19 H20 N3 O8 P | SMILES: | C(c1cnc(c(c1C=[NH+][C-](C(O)=O)CC2c3c(NC2=O)cccc3)O)C)OP(O)(=O)O | InChi: | InChI=1S/C19H20N3O8P/c1-10-17(23)14(11(7-20-10)9-30-31(27,28)29)8-21-16(19(25)26)6-13-12-4-2-3-5-15(12)22-18(13)24/h2-5,7-8,13,21,23H,6,9H2,1H3,(H,22,24)(H,25,26)(H2,27,28,29)/t13-/m1/s1 | Definition date: | 2017-06-07 | Last modified: | 2018-06-01 | Release date: | 2018-06-06 | Identifier: | 1-carboxy-1-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]azaniumyl}-2-[(3R)-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-ide |
|
![CNZ CNZ](https://data.pdbj.org/pdbjplus/data/cc/svg/CNZ.svg) | CNZ | Name: | L-gamma-glutamyl-S-(2-biphenyl-4-yl-2-oxoethyl)-L-cysteinylglycine | Formula: | C24 H28 N3 O7 S | SMILES: | [NH3+][CH](CCC(=O)N[CH](CSCC(=O)c1ccc(cc1)c2ccccc2)C(=O)NCC(O)=O)C(O)=O | InChi: | InChI=1S/C24H27N3O7S/c25-18(24(33)34)10-11-21(29)27-19(23(32)26-12-22(30)31)13-35-14-20(28)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18-19H,10-14,25H2,(H,26,32)(H,27,29)(H,30,31)(H,33,34)/p+1/t18-,19-/m0/s1 | Definition date: | 2017-12-01 | Last modified: | 2018-06-01 | Release date: | 2018-06-06 | Identifier: | [(2~{S})-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-[2-oxidanylidene-2-(4-phenylphenyl)ethyl]sulfanyl-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium |
|
![EHZ EHZ](https://data.pdbj.org/pdbjplus/data/cc/svg/EHZ.svg) | EHZ | Name: | ~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3~{S})-3-oxidanyltetradecanethioate | Formula: | C25 H49 N2 O9 P S | SMILES: | CCCCCCCCCCC[CH](O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O | InChi: | InChI=1S/C25H49N2O9PS/c1-4-5-6-7-8-9-10-11-12-13-20(28)18-22(30)38-17-16-26-21(29)14-15-27-24(32)23(31)25(2,3)19-36-37(33,34)35/h20,23,28,31H,4-19H2,1-3H3,(H,26,29)(H,27,32)(H2,33,34,35)/t20-,23-/m0/s1 | Definition date: | 2018-03-23 | Last modified: | 2018-06-01 | Release date: | 2018-06-06 | Identifier: | ~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (3~{S})-3-oxidanyltetradecanethioate |
|
![N05 N05](https://data.pdbj.org/pdbjplus/data/cc/svg/N05.svg) | N05 | Name: | 3-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]propanoic acid | Formula: | C25 H30 F N5 O3 | SMILES: | CC(C)[C]1(c2cc(F)cc(c2)N3CCC(CC3)CCC(O)=O)C(=C(N)Oc4n[nH]c(C)c14)C#N | InChi: | InChI=1S/C25H30FN5O3/c1-14(2)25(20(13-27)23(28)34-24-22(25)15(3)29-30-24)17-10-18(26)12-19(11-17)31-8-6-16(7-9-31)4-5-21(32)33/h10-12,14,16H,4-9,28H2,1-3H3,(H,29,30)(H,32,33)/t25-/m0/s1 | Definition date: | 2017-09-26 | Last modified: | 2018-06-01 | Release date: | 2018-06-06 | Identifier: | 3-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]propanoic acid |
|
![7K7 7K7](https://data.pdbj.org/pdbjplus/data/cc/svg/7K7.svg) | 7K7 | Name: | 5-[[(2~{R})-2-methyl-1,4-diazepan-4-ium-1-yl]sulfonyl]isoquinoline | Formula: | C15 H20 N3 O2 S | SMILES: | C[CH]1C[NH2+]CCCN1[S](=O)(=O)c2cccc3cnccc23 | InChi: | InChI=1S/C15H19N3O2S/c1-12-10-16-7-3-9-18(12)21(19,20)15-5-2-4-13-11-17-8-6-14(13)15/h2,4-6,8,11-12,16H,3,7,9-10H2,1H3/p+1/t12-/m1/s1 | Definition date: | 2016-11-03 | Last modified: | 2018-06-01 | Release date: | 2018-06-06 | Identifier: | 5-[[(2~{R})-2-methyl-1,4-diazepan-4-ium-1-yl]sulfonyl]isoquinoline |
|
![7KB 7KB](https://data.pdbj.org/pdbjplus/data/cc/svg/7KB.svg) | 7KB | Name: | 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline | Formula: | C15 H19 N3 O2 S | SMILES: | Cc1cncc2cccc(c12)[S](=O)(=O)N3CCCNCC3 | InChi: | InChI=1S/C15H19N3O2S/c1-12-10-17-11-13-4-2-5-14(15(12)13)21(19,20)18-8-3-6-16-7-9-18/h2,4-5,10-11,16H,3,6-9H2,1H3 | Definition date: | 2016-11-04 | Last modified: | 2018-06-01 | Release date: | 2018-06-06 | Identifier: | 5-(1,4-diazepan-1-ylsulfonyl)-4-methyl-isoquinoline |
|
![8H6 8H6](https://data.pdbj.org/pdbjplus/data/cc/svg/8H6.svg) | 8H6 | Name: | S-[2-[3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethyl] (2R)-2-methyl-3-oxidanylidene-pentanethioate | Formula: | C17 H30 N2 O6 S | SMILES: | CCC(=O)[CH](C)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO | InChi: | InChI=1S/C17H30N2O6S/c1-5-12(21)11(2)16(25)26-9-8-18-13(22)6-7-19-15(24)14(23)17(3,4)10-20/h11,14,20,23H,5-10H2,1-4H3,(H,18,22)(H,19,24)/t11-,14+/m1/s1 | Definition date: | 2017-07-07 | Last modified: | 2018-06-01 | Release date: | 2018-06-06 | Identifier: | ~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethyl] (2~{R})-2-methyl-3-oxidanylidene-pentanethioate |
|
![8UO 8UO](https://data.pdbj.org/pdbjplus/data/cc/svg/8UO.svg) | 8UO | Name: | 2-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]ethanoic acid | Formula: | C24 H28 F N5 O3 | SMILES: | CC(C)[C]1(c2cc(F)cc(c2)N3CCC(CC3)CC(O)=O)C(=C(N)Oc4n[nH]c(C)c14)C#N | InChi: | InChI=1S/C24H28FN5O3/c1-13(2)24(19(12-26)22(27)33-23-21(24)14(3)28-29-23)16-9-17(25)11-18(10-16)30-6-4-15(5-7-30)8-20(31)32/h9-11,13,15H,4-8,27H2,1-3H3,(H,28,29)(H,31,32)/t24-/m0/s1 | Definition date: | 2017-09-26 | Last modified: | 2018-06-01 | Release date: | 2018-06-06 | Identifier: | 2-[1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidin-4-yl]ethanoic acid |
|
![MCL MCL](https://data.pdbj.org/pdbjplus/data/cc/svg/MCL.svg) | MCL | Name: | NZ-(1-CARBOXYETHYL)-LYSINE | Formula: | C9 H16 N2 O4 | SMILES: | NC(CCCCN=C(/C)C(O)=O)C(=O)O | InChi: | InChI=1S/C9H16N2O4/c1-6(8(12)13)11-5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,12,13)(H,14,15)/b11-6+/t7-/m0/s1 | Definition date: | 2003-09-23 | Last modified: | 2018-05-29 | Identifier: | (E)-N~6~-(1-carboxyethylidene)-L-lysine |
|
![9TV 9TV](https://data.pdbj.org/pdbjplus/data/cc/svg/9TV.svg) | 9TV | Name: | 3-(pyrimidin-2-yl)-N-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanamide | Formula: | C20 H21 N5 O | SMILES: | c3(nnc(c1ccc2c(c1)CCCC2)c3)NC(CCc4ncccn4)=O | InChi: | InChI=1S/C20H21N5O/c26-20(9-8-18-21-10-3-11-22-18)23-19-13-17(24-25-19)16-7-6-14-4-1-2-5-15(14)12-16/h3,6-7,10-13H,1-2,4-5,8-9H2,(H2,23,24,25,26) | Definition date: | 2017-06-07 | Last modified: | 2018-05-25 | Release date: | 2018-05-30 | Identifier: | 3-(pyrimidin-2-yl)-N-[3-(5,6,7,8-tetrahydronaphthalen-2-yl)-1H-pyrazol-5-yl]propanamide |
|