Chemie Search results for query - 일본 단백질구조 데이터 뱅크

English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

PDB Info pages Status search Chemie search: 43892 results BIRD

3VV

3VV
Name:	S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name)
Formula:	C39 H68 N7 O17 P3 S
SMILES:	O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCCCCC=C/CCCCCCCC
InChi:	InChI=1S/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28)46-27-45-31-35(40)43-26-44-36(31)46/h11-12,26-28,32-34,38,49-50H,4-10,13-25H2,1-3H3,(H,41,47)(H,42,51)(H,55,56)(H,57,58)(H2,40,43,44)(H2,52,53,54)/b12-11-/t28-,32-,33-,34+,38-/m1/s1
Synonyms:	oleoyl-CoA
Definition date:	2014-11-19
Last modified:	2021-03-01
Release date:	2015-02-18
Identifier:	S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name)

K6H

K6H
Name:	(2S)-2-chloranyl-2-[(2R)-5-oxidanylidene-2H-furan-2-yl]ethanoic acid
Formula:	C6 H5 Cl O4
SMILES:	O=C1OC(C=C1)C(Cl)C(=O)O
InChi:	InChI=1S/C6H5ClO4/c7-5(6(9)10)3-1-2-4(8)11-3/h1-3,5H,(H,9,10)/t3-,5+/m1/s1
Synonyms:	5-CHLOROMUCONOLACTONE
Definition date:	2013-02-20
Last modified:	2021-03-01
Release date:	2013-03-06
Identifier:	(2S)-chloro[(2R)-5-oxo-2,5-dihydrofuran-2-yl]ethanoic acid

3W3

3W3
Name:	4-(allyloxy)benzenesulfonamide
Formula:	C9 H11 N O3 S
SMILES:	O=S(=O)(N)c1ccc(OCC=C)cc1
InChi:	InChI=1S/C9H11NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h2-6H,1,7H2,(H2,10,11,12)
Synonyms:	4-(prop-2-en-1-yloxy)benzenesulfonamide
Definition date:	2014-11-24
Last modified:	2021-03-01
Release date:	2015-04-22
Identifier:	4-(prop-2-en-1-yloxy)benzenesulfonamide

3XW

3XW
Name:	4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile
Formula:	C28 H27 F3 N8 S
SMILES:	N#Cc2n(c1ccc(c(c1c2)C)CN5CCC(Nc3ncnc4sc(cc34)CC(F)(F)F)CC5)Cc6cnnc6
InChi:	InChI=1S/C28H27F3N8S/c1-17-19(2-3-25-23(17)8-21(11-32)39(25)14-18-12-35-36-13-18)15-38-6-4-20(5-7-38)37-26-24-9-22(10-28(29,30)31)40-27(24)34-16-33-26/h2-3,8-9,12-13,16,20H,4-7,10,14-15H2,1H3,(H,35,36)(H,33,34,37)
Synonyms:	MI-503
Definition date:	2014-12-08
Last modified:	2021-03-01
Release date:	2015-04-15
Identifier:	4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile

KAL

KAL
Name:	Kalimantacin
Formula:	C30 H48 N2 O7
SMILES:	C[CH](CC=CC=CCCC(=C)C[CH](C)CC(C)=CC(O)=O)CC(=O)C[CH](O)CNC(=O)[CH](C)[CH](C)OC(N)=O
InChi:	InChI=1S/C30H48N2O7/c1-20(14-22(3)15-23(4)17-28(35)36)12-10-8-7-9-11-13-21(2)16-26(33)18-27(34)19-32-29(37)24(5)25(6)39-30(31)38/h7-9,11,17,21-22,24-25,27,34H,1,10,12-16,18-19H2,2-6H3,(H2,31,38)(H,32,37)(H,35,36)/b8-7-,11-9+,23-17+/t21-,22+,24+,25+,27+/m0/s1
Synonyms:	batumin
Definition date:	2019-01-21
Last modified:	2021-03-01
Release date:	2020-04-01
Identifier:	(2~{E},5~{R},10~{Z},12~{E},15~{S},19~{R})-20-[[(2~{R},3~{R})-3-aminocarbonyloxy-2-methyl-butanoyl]amino]-3,5,15-trimethyl-7-methylidene-19-oxidanyl-17-oxidanylidene-icosa-2,10,12-trienoic acid

KAM

KAM
Name:	N-[7-KETO-8-AMINOPELARGONIC ACID]-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE]
Formula:	C17 H27 N2 O8 P
SMILES:	O=C(O)CCCCCC(=O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C
InChi:	InChI=1S/C17H27N2O8P/c1-11(15(20)6-4-3-5-7-16(21)22)19-9-14-13(10-27-28(24,25)26)8-18-12(2)17(14)23/h8,11,19,23H,3-7,9-10H2,1-2H3,(H,21,22)(H2,24,25,26)/t11-/m0/s1
Synonyms:	N-PYRIDOXYL-7-KETO-8-AMINOPELARGONIC ACID-5'-MONOPHOSPHATE
Definition date:	1999-12-08
Last modified:	2021-03-01
Identifier:	(8S)-8-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-7-oxononanoic acid

400

400
Name:	3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMINO)-N-[(1R)-1-PHENYLPROPYL]-1H-THIENO[3,2-C]PYRAZOLE-5-CARBOXAMIDE
Formula:	C27 H30 N6 O2 S
SMILES:	O=C(c1sc4c(c1)nnc4NC(=O)c3ccc(N2CCN(C)CC2)cc3)NC(c5ccccc5)CC
InChi:	InChI=1S/C27H30N6O2S/c1-3-21(18-7-5-4-6-8-18)28-27(35)23-17-22-24(36-23)25(31-30-22)29-26(34)19-9-11-20(12-10-19)33-15-13-32(2)14-16-33/h4-12,17,21H,3,13-16H2,1-2H3,(H,28,35)(H2,29,30,31,34)/t21-/m1/s1
Synonyms:	PHA-828300
Definition date:	2009-09-03
Last modified:	2021-03-01
Identifier:	3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-N-[(1R)-1-phenylpropyl]-1H-thieno[3,2-c]pyrazole-5-carboxamide

401

401
Name:	(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid
Formula:	C21 H21 F4 N O4
SMILES:	FC(F)(F)c1ccc(c(F)c1)C(=O)NCc2cc(ccc2OC)CC(C(=O)O)CC
InChi:	InChI=1S/C21H21F4NO4/c1-3-13(20(28)29)8-12-4-7-18(30-2)14(9-12)11-26-19(27)16-6-5-15(10-17(16)22)21(23,24)25/h4-7,9-10,13H,3,8,11H2,1-2H3,(H,26,27)(H,28,29)/t13-/m0/s1
Synonyms:	(S)-2-{3-[(2-fluoro-4-trifluoromethylbenzoylamino)methyl]-4-methoxybenzyl} butyric acid
Definition date:	2008-05-09
Last modified:	2021-03-01
Identifier:	(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-4-methoxybenzyl}butanoic acid

408

408
Name:	(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Formula:	C16 H16 F3 N O
SMILES:	FC(F)(F)c2ccc(OC(c1ccccc1)CCN)cc2
InChi:	InChI=1S/C16H16F3NO/c17-16(18,19)13-6-8-14(9-7-13)21-15(10-11-20)12-4-2-1-3-5-12/h1-9,15H,10-11,20H2/t15-/m1/s1
Synonyms:	(R)-Norfluoxetine
Definition date:	2014-12-22
Last modified:	2021-03-01
Release date:	2015-03-18
Identifier:	(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine

KBF

KBF
Name:	3-oxidanyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]naphthalene-2-carboxamide
Formula:	C16 H17 N O3
SMILES:	Oc1cc2ccccc2cc1C(=O)NC[CH]3CCCO3
InChi:	InChI=1S/C16H17NO3/c18-15-9-12-5-2-1-4-11(12)8-14(15)16(19)17-10-13-6-3-7-20-13/h1-2,4-5,8-9,13,18H,3,6-7,10H2,(H,17,19)/t13-/m1/s1
Synonyms:	3-hydroxy-N-(tetrahydrofuran-2-ylmethyl)naphthalene-2-carboxamide
Definition date:	2018-02-22
Last modified:	2021-03-01
Release date:	2018-09-12
Identifier:	3-oxidanyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]naphthalene-2-carboxamide

41M

41M
Name:	N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysinamide
Formula:	C16 H29 N5 O3 S
SMILES:	O=C1NC2C(SCC2N1)CCCCC(=O)NCCCCC(C(=O)N)N
InChi:	InChI=1S/C16H29N5O3S/c17-10(15(18)23)5-3-4-8-19-13(22)7-2-1-6-12-14-11(9-25-12)20-16(24)21-14/h10-12,14H,1-9,17H2,(H2,18,23)(H,19,22)(H2,20,21,24)/t10-,11-,12-,14-/m0/s1
Synonyms:	N-epsilon-Biotinyl-lysine-amid
Definition date:	2015-01-13
Last modified:	2021-03-01
Release date:	2015-03-04
Identifier:	N~6~-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysinamide

41U

41U
Name:	nisoxetine
Formula:	C17 H21 N O2
SMILES:	O(c1ccccc1OC)C(c2ccccc2)CCNC
InChi:	InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3/t15-/m0/s1
Synonyms:	(3S)-3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine
Definition date:	2015-01-16
Last modified:	2021-03-01
Release date:	2015-05-13
Identifier:	(3S)-3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine

421

421
Name:	6-CARBAMIMIDOYL-4-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-NAPHTHALENE-2-CARBOXYLIC ACID METHYL ESTER
Formula:	C21 H19 N3 O4
SMILES:	O=C(OC)c2cc1c(cc(C(=[N@H])N)cc1)c(c2)NC(=O)c3cccc(O)c3C
InChi:	InChI=1S/C21H19N3O4/c1-11-15(4-3-5-18(11)25)20(26)24-17-10-14(21(27)28-2)8-12-6-7-13(19(22)23)9-16(12)17/h3-10,25H,1-2H3,(H3,22,23)(H,24,26)
Synonyms:	METHYL 6-[AMINO(IMINO)METHYL]-4-[(3-HYDROXY-2-METHYLBENZOYL)AMINO]-2-NAPHTHOATE
Definition date:	2005-06-02
Last modified:	2021-03-01
Identifier:	methyl 6-carbamimidoyl-4-{[(3-hydroxy-2-methylphenyl)carbonyl]amino}naphthalene-2-carboxylate

429

429
Name:	2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY-3-HYDROXY-PHENYL)-PROPIONYLAMINO]-BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER
Formula:	C25 H30 N2 O10
SMILES:	O=C(OC)c2c(O)cccc2OCCCCNC(=O)C(NC(=O)C)Cc1ccc(OCC(=O)O)c(O)c1
InChi:	InChI=1S/C25H30N2O10/c1-15(28)27-17(12-16-8-9-20(19(30)13-16)37-14-22(31)32)24(33)26-10-3-4-11-36-21-7-5-6-18(29)23(21)25(34)35-2/h5-9,13,17,29-30H,3-4,10-12,14H2,1-2H3,(H,26,33)(H,27,28)(H,31,32)/t17-/m0/s1
Synonyms:	COMPOUND 20
Definition date:	2003-09-16
Last modified:	2021-03-01
Identifier:	{4-[(2S)-2-(acetylamino)-3-({4-[3-hydroxy-2-(methoxycarbonyl)phenoxy]butyl}amino)-3-oxopropyl]-2-hydroxyphenoxy}acetic acid

42U

42U
Name:	4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline
Formula:	C22 H23 F4 N5
SMILES:	FC(F)(F)c4c(NCCN1CCNCC1)ccc(c3cnnc3c2ccc(F)cc2)c4
InChi:	InChI=1S/C22H23F4N5/c23-17-4-1-15(2-5-17)21-18(14-29-30-21)16-3-6-20(19(13-16)22(24,25)26)28-9-12-31-10-7-27-8-11-31/h1-6,13-14,27-28H,7-12H2,(H,29,30)
Synonyms:	CBR-9393
Definition date:	2015-01-23
Last modified:	2021-03-01
Release date:	2015-07-22
Identifier:	4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-[2-(piperazin-1-yl)ethyl]-2-(trifluoromethyl)aniline

43X

43X
Name:	[(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate
Formula:	C8 H11 F N3 O6 P S
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(F)=C1)CS2
InChi:	InChI=1S/C8H11FN3O6PS/c9-4-1-12(8(13)11-7(4)10)5-3-20-6(18-5)2-17-19(14,15)16/h1,5-6H,2-3H2,(H2,10,11,13)(H2,14,15,16)/t5-,6+/m0/s1
Synonyms:	FTC-MP
Definition date:	2015-02-03
Last modified:	2021-03-01
Release date:	2017-01-11
Identifier:	[(2R,5S)-5-(4-amino-5-fluoro-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate

KET

KET
Name:	2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYLENE)-AMINO]-SUCCINIC ACID
Formula:	C12 H16 N2 O9 P
SMILES:	O=C(O)CC(/N=C/c1c(c[nH+]c(c1O)C)COP(=O)(O)O)C(=O)O
InChi:	InChI=1S/C12H15N2O9P/c1-6-11(17)8(4-14-9(12(18)19)2-10(15)16)7(3-13-6)5-23-24(20,21)22/h3-4,9,17H,2,5H2,1H3,(H,15,16)(H,18,19)(H2,20,21,22)/p+1/b14-4+/t9-/m0/s1
Synonyms:	PYRIDOXYLIDENE-ASPARTIC ACID-5-MONOPHOSPHATE
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridinium-4-yl}methylidene)-L-aspartic acid

44D

44D
Name:	7-[5-(4-AMINO-5-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY)-4-HYDROXY-6-METHYL-TETRAHYDRO-PYRAN-2-YLOXY]-6,9,11-TRIHYDROXY-9-(2-HYDROXY-ACETYL)-7,8,9,10-TETRAHYDRO-NAPHTHACENE-5,12-DIONE
Formula:	C32 H37 N O13
SMILES:	O=C2c1c(O)c6c(c(O)c1C(=O)c3ccccc23)CC(O)(C(=O)CO)CC6OC5OC(C(OC4OC(C)C(O)C(N)C4)C(O)C5)C
InChi:	InChI=1S/C32H37NO13/c1-12-26(37)17(33)7-21(43-12)46-31-13(2)44-22(8-18(31)35)45-19-10-32(42,20(36)11-34)9-16-23(19)30(41)25-24(29(16)40)27(38)14-5-3-4-6-15(14)28(25)39/h3-6,12-13,17-19,21-22,26,31,34-35,37,40-42H,7-11,33H2,1-2H3/t12-,13-,17-,18-,19-,21-,22-,26+,31+,32-/m0/s1
Synonyms:	4'-(O-ALPHA-L-DAUNOSAMINYL)-4-DEMETHOXYDOXORUBICIN
Definition date:	2002-12-16
Last modified:	2021-03-01
Identifier:	(1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 4-O-(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)-2,6-dideoxy-alpha-L-lyxo-hexopyranoside

KGD

KGD
Name:	beta,psi-caroten-4-one
Formula:	C40 H54 O
SMILES:	C1(C)(CCC(C(=C1C=[C@H]C(=[C@H]C=[C@H]C(=[C@H]C=[C@H]C=C(/C)C=[C@H]/C=C(/C=[C@H]/C=C(/CCC=C(C)C)C)C)C)C)C)=O)C
InChi:	InChI=1S/C40H54O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-38-37(8)39(41)29-30-40(38,9)10/h11-12,14-19,21-28H,13,20,29-30H2,1-10H3/b12-11+,21-14+,22-16+,25-15+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+
Synonyms:	Keto-gamma-carotene
Definition date:	2018-02-02
Last modified:	2021-03-01
Release date:	2018-05-02
Identifier:	beta,psi-caroten-4-one

460

460
Name:	2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
Formula:	C17 H15 N5
SMILES:	n1c(cccc1C4=C(c3nc2c(nccc2)cc3)CNN4)C
InChi:	InChI=1S/C17H15N5/c1-11-4-2-5-16(20-11)17-12(10-19-22-17)13-7-8-14-15(21-13)6-3-9-18-14/h2-9,19,22H,10H2,1H3
Synonyms:	NAPHTHYRIDINE INHIBITOR
Definition date:	2004-04-21
Last modified:	2021-03-01
Identifier:	2-[5-(6-methylpyridin-2-yl)-2,3-dihydro-1H-pyrazol-4-yl]-1,5-naphthyridine

711

711
Name:	7-[[6-[[1-(1-IMINOETHYL)PIPERIDIN-4-YL]OXY]-2-METHYL-BENZIMIDAZOL-1-YL]METHYL]NAPHTHALENE-2-CARBOXIMIDAMID
Formula:	C27 H31 N6 O
SMILES:	O(c2ccc1nc([n+](c1c2)Cc4cc3cc(C(=[N@H])N)ccc3cc4)C)C5CCN(C(=[N@H])C)CC5
InChi:	InChI=1S/C27H30N6O/c1-17(28)32-11-9-23(10-12-32)34-24-7-8-25-26(15-24)33(18(2)31-25)16-19-3-4-20-5-6-21(27(29)30)14-22(20)13-19/h3-8,13-15,23,28H,9-12,16H2,1-2H3,(H3,29,30)/p+1/b28-17-
Synonyms:	ZK-806711
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	3-[(7-carbamimidoylnaphthalen-2-yl)methyl]-5-({1-[(1Z)-ethanimidoyl]piperidin-4-yl}oxy)-2-methyl-1H-3,1-benzimidazol-3-ium

71V

71V
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-sulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C10 H14 N5 O7 P S
SMILES:	Nc1nc(S)c2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O)c2n1
InChi:	InChI=1S/C10H14N5O7PS/c11-10-13-7-4(8(24)14-10)12-2-15(7)9-6(17)5(16)3(22-9)1-21-23(18,19)20/h2-3,5-6,9,16-17H,1H2,(H2,18,19,20)(H3,11,13,14,24)/t3-,5-,6-,9-/m1/s1
Synonyms:	6-Thio-GMP
Definition date:	2016-08-13
Last modified:	2021-03-01
Release date:	2016-08-23
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-sulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

71X

71X
Name:	~{N}-[(1~{R},2~{R})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide
Formula:	C20 H23 Cl N2 O3
SMILES:	CCc1c([nH]c(C)c1C(C)=O)C(=O)N[CH]2[CH](O)CCc3ccc(Cl)cc23
InChi:	InChI=1S/C20H23ClN2O3/c1-4-14-17(11(3)24)10(2)22-19(14)20(26)23-18-15-9-13(21)7-5-12(15)6-8-16(18)25/h5,7,9,16,18,22,25H,4,6,8H2,1-3H3,(H,23,26)/t16-,18-/m1/s1
Synonyms:	XDM207PS2T2
Definition date:	2016-08-13
Last modified:	2021-03-01
Release date:	2017-08-16
Identifier:	~{N}-[(1~{R},2~{R})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide

746

746
Name:	4-tert-butyl-N-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide
Formula:	C34 H37 N5 O4
SMILES:	O=C(c4ccc(NC3=NC(c2cccc(NC(=O)c1ccc(cc1)C(C)(C)C)c2C)=CN(C3=O)C)cc4)N5CCOCC5
InChi:	InChI=1S/C34H37N5O4/c1-22-27(7-6-8-28(22)37-31(40)23-9-13-25(14-10-23)34(2,3)4)29-21-38(5)33(42)30(36-29)35-26-15-11-24(12-16-26)32(41)39-17-19-43-20-18-39/h6-16,21H,17-20H2,1-5H3,(H,35,36)(H,37,40)
Synonyms:	CGI1746
Definition date:	2010-08-24
Last modified:	2021-03-01
Identifier:	4-tert-butyl-N-[2-methyl-3-(4-methyl-6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl]benzamide

KLV

KLV
Name:	4-methylumbelliferyl phosphate
Formula:	C10 H9 O6 P
SMILES:	O=P(O)(O)Oc2ccc1c(OC(=O)C=C1C)c2
InChi:	InChI=1S/C10H9O6P/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H2,12,13,14)
Synonyms:	4-methyl-2-oxo-2H-chromen-7-yl dihydrogen phosphate
Definition date:	2013-05-08
Last modified:	2021-03-01
Release date:	2013-05-22
Identifier:	4-methyl-2-oxo-2H-chromen-7-yl dihydrogen phosphate

<642 643 644 645 646 647 648649650 651 652 653 654 655 656 657 >

238895

건을2025-07-16부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon