Chemie Search results for query - 日本蛋白質結構資料庫

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: 38021 results BIRD

R38

R38
Name:	(2~{R})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid
Formula:	C15 H18 N2 O3 S
SMILES:	C[CH](CS)C(=O)N[CH](Cc1c[nH]c2ccccc12)C(O)=O
InChi:	InChI=1S/C15H18N2O3S/c1-9(8-21)14(18)17-13(15(19)20)6-10-7-16-12-5-3-2-4-11(10)12/h2-5,7,9,13,16,21H,6,8H2,1H3,(H,17,18)(H,19,20)/t9-,13-/m1/s1
Definition date:	2017-02-12
Last modified:	2017-05-12
Release date:	2017-05-17
Identifier:	(2~{R})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid

R59

R59
Name:	(2~{S})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid
Formula:	C15 H18 N2 O3 S
SMILES:	C[CH](CS)C(=O)N[CH](Cc1c[nH]c2ccccc12)C(O)=O
InChi:	InChI=1S/C15H18N2O3S/c1-9(8-21)14(18)17-13(15(19)20)6-10-7-16-12-5-3-2-4-11(10)12/h2-5,7,9,13,16,21H,6,8H2,1H3,(H,17,18)(H,19,20)/t9-,13+/m1/s1
Definition date:	2017-02-12
Last modified:	2017-05-12
Release date:	2017-05-17
Identifier:	(2~{S})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid

XC5

XC5
Name:	2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine
Formula:	C10 H18 N3 O12 P3
SMILES:	P(=O)(O)(CP(O)(OP(=O)(O)O)=O)OCC2C(CC(N1C=CC(=NC1=O)N)O2)O
InChi:	InChI=1S/C10H18N3O12P3/c11-8-1-2-13(10(15)12-8)9-3-6(14)7(24-9)4-23-26(16,17)5-27(18,19)25-28(20,21)22/h1-2,6-7,9,14H,3-5H2,(H,16,17)(H,18,19)(H2,11,12,15)(H2,20,21,22)/t6-,7+,9+/m0/s1
Definition date:	2017-03-06
Last modified:	2017-05-05
Release date:	2017-05-10
Identifier:	2'-deoxy-5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine

1N
Name:	1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine
Formula:	C28 H37 N13 O2
SMILES:	NC(=N)N[CH]1C[CH](Nc2ccc(NC(N)=N)cc2)[CH](C[CH]1Oc3ccc(NC(N)=N)cc3)Oc4ccc(NC(N)=N)cc4
InChi:	InChI=1S/C28H37N13O2/c29-25(30)38-16-3-1-15(2-4-16)37-21-13-22(41-28(35)36)24(43-20-11-7-18(8-12-20)40-27(33)34)14-23(21)42-19-9-5-17(6-10-19)39-26(31)32/h1-12,21-24,37H,13-14H2,(H4,29,30,38)(H4,31,32,39)(H4,33,34,40)(H4,35,36,41)/t21-,22+,23-,24+/m0/s1
Definition date:	2016-11-28
Last modified:	2017-05-05
Release date:	2017-05-10
Identifier:	1-[(1~{R},2~{R},4~{S},5~{S})-2,4-bis(4-carbamimidamidophenoxy)-5-[(4-carbamimidamidophenyl)amino]cyclohexyl]guanidine

W4A

W4A
Name:	5-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
Formula:	C18 H20 F3 N3 O2
SMILES:	CN1CCN(CC1)c2ccc(cc2NC(=O)c3oc(C)cc3)C(F)(F)F
InChi:	InChI=1S/C18H20F3N3O2/c1-12-3-6-16(26-12)17(25)22-14-11-13(18(19,20)21)4-5-15(14)24-9-7-23(2)8-10-24/h3-6,11H,7-10H2,1-2H3,(H,22,25)
Definition date:	2017-01-25
Last modified:	2017-05-05
Release date:	2017-05-10
Identifier:	5-methyl-~{N}-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide

4ZS

4ZS
Name:	N-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide
Formula:	C26 H30 F N7 O2 S
SMILES:	c4(c2n1c(cc(c(c1)C)CN(C)C)nc2c3cc(c(cc3)F)NS(=O)(=O)C)nc(ncc4)NCC5CC5
InChi:	InChI=1S/C26H30FN7O2S/c1-16-14-34-23(12-19(16)15-33(2)3)31-24(18-7-8-20(27)22(11-18)32-37(4,35)36)25(34)21-9-10-28-26(30-21)29-13-17-5-6-17/h7-12,14,17,32H,5-6,13,15H2,1-4H3,(H,28,29,30)
Definition date:	2015-07-02
Last modified:	2017-05-05
Release date:	2017-05-10
Identifier:	N-[5-(3-{2-[(cyclopropylmethyl)amino]pyrimidin-4-yl}-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl)-2-fluorophenyl]methanesulfonamide

4I8

4I8
Name:	methyl 2-oxidanylidene-3~{H}-1,3-benzoxazole-6-carboxylate
Formula:	C9 H7 N O4
SMILES:	COC(=O)c1ccc2NC(=O)Oc2c1
InChi:	InChI=1S/C9H7NO4/c1-13-8(11)5-2-3-6-7(4-5)14-9(12)10-6/h2-4H,1H3,(H,10,12)
Definition date:	2016-12-20
Last modified:	2017-05-05
Release date:	2017-05-10
Identifier:	methyl 2-oxidanylidene-3~{H}-1,3-benzoxazole-6-carboxylate

6JX

6JX
Name:	allyl (2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-6-yl)carbamate
Formula:	C14 H14 N6 O3
SMILES:	c3(nc1c(cc2c(c1)N=C(NC2=O)NC(=O)OC[C@H]=C)n3)NC
InChi:	InChI=1S/C14H14N6O3/c1-3-4-23-14(22)20-13-16-8-6-10-9(17-12(15-2)18-10)5-7(8)11(21)19-13/h3,5-6H,1,4H2,2H3,(H2,15,17,18)(H2,16,19,20,21,22)
Definition date:	2016-04-20
Last modified:	2017-05-05
Release date:	2017-05-10
Identifier:	prop-2-en-1-yl [2-(methylamino)-8-oxo-7,8-dihydro-3H-imidazo[4,5-g]quinazolin-6-yl]carbamate

6JY

6JY
Name:	N~2~-(benzenecarbonyl)-L-arginine
Formula:	C13 H18 N4 O3
SMILES:	N/C(NCCCC(NC(=O)c1ccccc1)C(=O)O)=N
InChi:	InChI=1S/C13H18N4O3/c14-13(15)16-8-4-7-10(12(19)20)17-11(18)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,17,18)(H,19,20)(H4,14,15,16)/t10-/m0/s1
Definition date:	2016-04-20
Last modified:	2017-05-05
Release date:	2017-05-10
Identifier:	N~2~-(benzenecarbonyl)-L-arginine

6LC

6LC
Name:	9-[(5E)-7-carbamimidamido-5,6,7-trideoxy-beta-D-ribo-hept-5-enofuranosyl]-9H-purin-6-amine
Formula:	C13 H18 N8 O3
SMILES:	C(CN/C(N)=N)=[C@H]C1C(O)C(O)C(O1)n2cnc3c2ncnc3N
InChi:	InChI=1S/C13H18N8O3/c14-10-7-11(19-4-18-10)21(5-20-7)12-9(23)8(22)6(24-12)2-1-3-17-13(15)16/h1-2,4-6,8-9,12,22-23H,3H2,(H2,14,18,19)(H4,15,16,17)/b2-1+/t6-,8-,9-,12-/m1/s1
Definition date:	2016-04-29
Last modified:	2017-05-05
Release date:	2017-05-10
Identifier:	9-[(5E)-7-carbamimidamido-5,6,7-trideoxy-beta-D-ribo-hept-5-enofuranosyl]-9H-purin-6-amine

6P9

6P9
Name:	[2-(phenylamino)-1,4-phenylene]bis({4-[2-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}methanone)
Formula:	C36 H51 N5 O2
SMILES:	C1CC(CCN1C(=O)c5c(Nc2ccccc2)cc(C(=O)N4CCC(CCN3CCCC3)CC4)cc5)CCN6CCCC6
InChi:	InChI=1S/C36H51N5O2/c42-35(40-24-14-29(15-25-40)12-22-38-18-4-5-19-38)31-10-11-33(34(28-31)37-32-8-2-1-3-9-32)36(43)41-26-16-30(17-27-41)13-23-39-20-6-7-21-39/h1-3,8-11,28-30,37H,4-7,12-27H2
Definition date:	2016-05-18
Last modified:	2017-05-05
Release date:	2017-05-10
Identifier:	[2-(phenylamino)-1,4-phenylene]bis({4-[2-(pyrrolidin-1-yl)ethyl]piperidin-1-yl}methanone)

6TW

6TW
Name:	[(2~{R},3~{S},5~{R})-5-[2-[(3-acetamidonaphthalen-2-yl)amino]-6-oxidanylidene-1~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite
Formula:	C22 H23 N6 O7 P
SMILES:	CC(=O)Nc1cc2ccccc2cc1NC3=Nc4n(cnc4C(=O)N3)[CH]5C[CH](O)[CH](COP(O)O)O5
InChi:	InChI=1S/C22H23N6O7P/c1-11(29)24-14-6-12-4-2-3-5-13(12)7-15(14)25-22-26-20-19(21(31)27-22)23-10-28(20)18-8-16(30)17(35-18)9-34-36(32)33/h2-7,10,16-18,30,32-33H,8-9H2,1H3,(H,24,29)(H2,25,26,27,31)/t16-,17+,18+/m0/s1
Definition date:	2016-06-22
Last modified:	2017-05-05
Release date:	2017-05-10
Identifier:	[(2~{R},3~{S},5~{R})-5-[2-[(3-acetamidonaphthalen-2-yl)amino]-6-oxidanylidene-1~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite

7AZ

7AZ
Name:	phosphonato-calix[6]arene
Formula:	C42 H42 O24 P6
SMILES:	Oc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc1cc(c2)[P](O)(O)=O)c7O)[P](O)(O)=O)c6O)[P](O)(O)=O)c5O)[P](O)(O)=O)c4O)[P](O)(O)=O)c3O)[P](O)(O)=O
InChi:	InChI=1S/C42H42O24P6/c43-37-19-1-20-8-32(68(52,53)54)10-22(38(20)44)3-24-12-34(70(58,59)60)14-26(40(24)46)5-28-16-36(72(64,65)66)18-30(42(28)48)6-29-17-35(71(61,62)63)15-27(41(29)47)4-25-13-33(69(55,56)57)11-23(39(25)45)2-21(37)9-31(7-19)67(49,50)51/h7-18,43-48H,1-6H2,(H2,49,50,51)(H2,52,53,54)(H2,55,56,57)(H2,58,59,60)(H2,61,62,63)(H2,64,65,66)
Definition date:	2016-09-27
Last modified:	2017-05-05
Release date:	2017-05-10

6G0

6G0
Name:	5'-O-[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-7-methylguanosine
Formula:	C11 H20 N5 O17 P4
SMILES:	C2(=Nc1n(c[n+](c1C(N2)=O)C)C3OC(COP(OP(OP(OP(=O)(O)O)(=O)O)(=O)O)(O)=O)C(C3O)O)N
InChi:	InChI=1S/C11H19N5O17P4/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(30-10)2-29-35(23,24)32-37(27,28)33-36(25,26)31-34(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H7-,12,13,14,19,20,21,22,23,24,25,26,27,28)/p+1/t4-,6-,7-,10-/m1/s1
Definition date:	2016-04-04
Last modified:	2017-05-05
Release date:	2017-05-10
Identifier:	5'-O-[(R)-hydroxy{[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]-7-methylguanosine

810

810
Name:	ethyl [2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-6-yl]carbamate
Formula:	C13 H14 N6 O3
SMILES:	O=C1NC(=Nc3c1cc2nc(nc2c3)NC)NC(=O)OCC
InChi:	InChI=1S/C13H14N6O3/c1-3-22-13(21)19-12-15-7-5-9-8(16-11(14-2)17-9)4-6(7)10(20)18-12/h4-5H,3H2,1-2H3,(H2,14,16,17)(H2,15,18,19,20,21)
Definition date:	2016-04-20
Last modified:	2017-05-05
Release date:	2017-05-10
Identifier:	ethyl [2-(methylamino)-8-oxo-7,8-dihydro-1H-imidazo[4,5-g]quinazolin-6-yl]carbamate

82J

82J
Name:	3-{[(2R)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide
Formula:	C31 H36 N4 O6 S
SMILES:	c3(cc4C(Nc1cc(ccc1)C(=O)N)C(N(Cc2cc(ccc2S(=O)(C(C)C)=O)NC(OCCc3cc4)=O)C)=O)CC
InChi:	InChI=1S/C31H36N4O6S/c1-5-20-15-22-10-9-21(20)13-14-41-31(38)34-26-11-12-27(42(39,40)19(2)3)24(17-26)18-35(4)30(37)28(22)33-25-8-6-7-23(16-25)29(32)36/h6-12,15-17,19,28,33H,5,13-14,18H2,1-4H3,(H2,32,36)(H,34,38)/t28-/m1/s1
Definition date:	2016-12-15
Last modified:	2017-05-05
Release date:	2017-05-10
Identifier:	3-{[(2R)-17-ethyl-4-methyl-3,12-dioxo-7-[(propan-2-yl)sulfonyl]-13-oxa-4,11-diazatricyclo[14.2.2.1~6,10~]henicosa-1(18),6(21),7,9,16,19-hexaen-2-yl]amino}benzamide

87D

87D
Name:	N-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide
Formula:	C20 H20 N2 O5 S
SMILES:	C=3C(N(C)C=C(c1c(ccc(c1)NS(C)(=O)=O)Oc2ccccc2)C=3OC)=O
InChi:	InChI=1S/C20H20N2O5S/c1-22-13-17(19(26-2)12-20(22)23)16-11-14(21-28(3,24)25)9-10-18(16)27-15-7-5-4-6-8-15/h4-13,21H,1-3H3
Definition date:	2017-01-10
Last modified:	2017-05-05
Release date:	2017-05-10
Identifier:	N-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide

88M

88M
Name:	5-[2-(2,4-difluorophenoxy)-5-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl]-4-ethoxy-1-methylpyridin-2(1H)-one
Formula:	C22 H24 F2 N2 O5 S
SMILES:	c1cc(c(cc1NS(CC)(O)O)C2=CN(C(C=C2OCC)=O)C)Oc3ccc(cc3F)F
InChi:	InChI=1S/C22H24F2N2O5S/c1-4-30-21-12-22(27)26(3)13-17(21)16-11-15(25-32(28,29)5-2)7-9-19(16)31-20-8-6-14(23)10-18(20)24/h6-13,25,28-29H,4-5H2,1-3H3
Definition date:	2017-01-12
Last modified:	2017-05-05
Release date:	2017-05-10
Identifier:	5-[2-(2,4-difluorophenoxy)-5-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}phenyl]-4-ethoxy-1-methylpyridin-2(1H)-one

89D

89D
Name:	17-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}-11,13-difluoro-2-methyl-6,7,8,9-tetrahydrodibenzo[4,5:7,8][1,6]dioxacyclododecino[3,2-c]pyridin-3(2H)-one
Formula:	C24 H26 F2 N2 O5 S
SMILES:	c1c3c(c(cc1F)F)Oc4c(C2=CN(C(C=C2OCCCC3)=O)C)cc(cc4)NS(CC)(O)O
InChi:	InChI=1S/C24H26F2N2O5S/c1-3-34(30,31)27-17-7-8-21-18(12-17)19-14-28(2)23(29)13-22(19)32-9-5-4-6-15-10-16(25)11-20(26)24(15)33-21/h7-8,10-14,27,30-31H,3-6,9H2,1-2H3
Definition date:	2017-01-12
Last modified:	2017-05-05
Release date:	2017-05-10
Identifier:	17-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}-11,13-difluoro-2-methyl-6,7,8,9-tetrahydrodibenzo[4,5:7,8][1,6]dioxacyclododecino[3,2-c]pyridin-3(2H)-one

89G

89G
Name:	5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3(2H)-one
Formula:	C18 H16 N2 O3
SMILES:	c1cc(ccc1)Oc2c(cccc2)C=3C(=CC(N(C)N=3)=O)OC
InChi:	InChI=1S/C18H16N2O3/c1-20-17(21)12-16(22-2)18(19-20)14-10-6-7-11-15(14)23-13-8-4-3-5-9-13/h3-12H,1-2H3
Definition date:	2017-01-12
Last modified:	2017-05-05
Release date:	2017-05-10
Identifier:	5-methoxy-2-methyl-6-(2-phenoxyphenyl)pyridazin-3(2H)-one

8AF

8AF
Name:	[(2~{R},3~{S},5~{R})-5-[2-azanyl-8-(9~{H}-fluoren-3-ylamino)-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite
Formula:	C23 H23 N6 O6 P
SMILES:	NC1=NC(=O)c2nc(Nc3ccc4Cc5ccccc5c4c3)n([CH]6C[CH](O)[CH](COP(O)O)O6)c2N1
InChi:	InChI=1S/C23H23N6O6P/c24-22-27-20-19(21(31)28-22)26-23(29(20)18-9-16(30)17(35-18)10-34-36(32)33)25-13-6-5-12-7-11-3-1-2-4-14(11)15(12)8-13/h1-6,8,16-18,30,32-33H,7,9-10H2,(H,25,26)(H3,24,27,28,31)/t16-,17+,18+/m0/s1
Definition date:	2016-06-22
Last modified:	2017-05-05
Release date:	2017-05-10
Identifier:	[(2~{R},3~{S},5~{R})-5-[2-azanyl-8-(9~{H}-fluoren-3-ylamino)-6-oxidanylidene-3~{H}-purin-9-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphite

8DY

8DY
Name:	3-amino-6-(4-{[(2S)-1-(dimethylamino)propan-2-yl]sulfonyl}phenyl)-N-phenylpyrazine-2-carboxamide
Formula:	C22 H25 N5 O3 S
SMILES:	C(C)(CN(C)C)S(=O)(=O)c3ccc(c1cnc(c(n1)C(=O)Nc2ccccc2)N)cc3
InChi:	InChI=1S/C22H25N5O3S/c1-15(14-27(2)3)31(29,30)18-11-9-16(10-12-18)19-13-24-21(23)20(26-19)22(28)25-17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H2,23,24)(H,25,28)/t15-/m0/s1
Definition date:	2017-01-26
Last modified:	2017-05-05
Release date:	2017-05-10
Identifier:	3-amino-6-(4-{[(2S)-1-(dimethylamino)propan-2-yl]sulfonyl}phenyl)-N-phenylpyrazine-2-carboxamide

8F2

8F2
Name:	(R)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide
Formula:	C22 H20 N2 O5 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCc3cc(O)c(O)cc3[CH]2c4ccccc4
InChi:	InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m1/s1
Definition date:	2017-02-02
Last modified:	2017-05-05
Release date:	2017-05-10
Identifier:	4-[[(1~{R})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]benzenesulfonamide

8F3

8F3
Name:	4-[[(1~{S})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]benzenesulfonamide
Formula:	C22 H20 N2 O5 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)N2CCc3cc(O)c(O)cc3[CH]2c4ccccc4
InChi:	InChI=1S/C22H20N2O5S/c23-30(28,29)17-8-6-15(7-9-17)22(27)24-11-10-16-12-19(25)20(26)13-18(16)21(24)14-4-2-1-3-5-14/h1-9,12-13,21,25-26H,10-11H2,(H2,23,28,29)/t21-/m0/s1
Definition date:	2017-02-02
Last modified:	2017-05-05
Release date:	2017-05-10
Identifier:	4-[[(1~{S})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]benzenesulfonamide

8FP

8FP
Name:	N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide
Formula:	C37 H44 N4 O6 S2
SMILES:	c5(ccc(S(=O)(N(CC(C)C)CC(O)C(NC(=O)c1cccc(c1)C(=O)N2CCCC2c3scc(n3)C)Cc4ccccc4)=O)cc5)OC
InChi:	InChI=1S/C37H44N4O6S2/c1-25(2)22-40(49(45,46)31-17-15-30(47-4)16-18-31)23-34(42)32(20-27-10-6-5-7-11-27)39-35(43)28-12-8-13-29(21-28)37(44)41-19-9-14-33(41)36-38-26(3)24-48-36/h5-8,10-13,15-18,21,24-25,32-34,42H,9,14,19-20,22-23H2,1-4H3,(H,39,43)/t32-,33+,34+/m0/s1
Definition date:	2017-02-02
Last modified:	2017-05-05
Release date:	2017-05-10
Identifier:	N-[(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]-3-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]benzamide

<989 990 991 992 993 994 995996997 998 999 1000 1001 1002 1003 1004 >

237423

數據於2025-06-11公開中

PDB statistics

PDBj update info

Contact PDBj

numon