Chemie Search results for query - 日本蛋白质结构数据库

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: 36438 results BIRD

PKG

PKG
Name:	(3S)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid
Formula:	C28 H28 N4 O3
SMILES:	c12CCN(Cc1cc(cc2)C(c4c(C)c3nnn(c3cc4)CC)CC(O)=O)C(=O)c5ccccc5
InChi:	InChI=1S/C28H28N4O3/c1-3-32-25-12-11-23(18(2)27(25)29-30-32)24(16-26(33)34)21-10-9-19-13-14-31(17-22(19)15-21)28(35)20-7-5-4-6-8-20/h4-12,15,24H,3,13-14,16-17H2,1-2H3,(H,33,34)/t24-/m0/s1
Definition date:	2019-08-12
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	(3S)-3-[2-(benzenecarbonyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid

MMW

MMW
Name:	2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxamide
Formula:	C17 H19 F3 N6 O
SMILES:	N[CH]1CCCN(C1)c2ncc(C(N)=O)c(Nc3cccc(c3)C(F)(F)F)n2
InChi:	InChI=1S/C17H19F3N6O/c18-17(19,20)10-3-1-5-12(7-10)24-15-13(14(22)27)8-23-16(25-15)26-6-2-4-11(21)9-26/h1,3,5,7-8,11H,2,4,6,9,21H2,(H2,22,27)(H,23,24,25)/t11-/m0/s1
Definition date:	2019-10-18
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3-(trifluoromethyl)phenyl]amino]pyrimidine-5-carboxamide

08A

08A
Name:	(3S)-3-[2-(benzenecarbonyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid
Formula:	C29 H30 N4 O3
SMILES:	n5c4c(C)c(C(CC(O)=O)c2cc1CN(CCc1c(c2)C)C(=O)c3ccccc3)ccc4n(CC)n5
InChi:	InChI=1S/C29H30N4O3/c1-4-33-26-11-10-24(19(3)28(26)30-31-33)25(16-27(34)35)21-14-18(2)23-12-13-32(17-22(23)15-21)29(36)20-8-6-5-7-9-20/h5-11,14-15,25H,4,12-13,16-17H2,1-3H3,(H,34,35)/t25-/m0/s1
Definition date:	2019-08-12
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	(3S)-3-[2-(benzenecarbonyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid

O1S

O1S
Name:	6-(5-methyl-1H-pyrazol-4-yl)-2-[(pyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one
Formula:	C15 H17 N5 O S
SMILES:	n1c(c(cn1)c2sc4c(c2)N=C(CN3CCCC3)NC4=O)C
InChi:	InChI=1S/C15H17N5OS/c1-9-10(7-16-19-9)12-6-11-14(22-12)15(21)18-13(17-11)8-20-4-2-3-5-20/h6-7H,2-5,8H2,1H3,(H,16,19)(H,17,18,21)
Definition date:	2019-06-04
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	6-(5-methyl-1H-pyrazol-4-yl)-2-[(pyrrolidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4(3H)-one

O1V

O1V
Name:	2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one
Formula:	C17 H19 N5 O S
SMILES:	n1c(c(cn1)c2sc3c(c2)N=C(NC3=O)C5CC4CCN5CC4)C
InChi:	InChI=1S/C17H19N5OS/c1-9-11(8-18-21-9)14-7-12-15(24-14)17(23)20-16(19-12)13-6-10-2-4-22(13)5-3-10/h7-8,10,13H,2-6H2,1H3,(H,18,21)(H,19,20,23)/t13-/m0/s1
Definition date:	2019-06-04
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	2-[(2S)-1-azabicyclo[2.2.2]octan-2-yl]-6-(5-methyl-1H-pyrazol-4-yl)thieno[3,2-d]pyrimidin-4(3H)-one

O41

O41
Name:	5-cyclopropyl-N-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
Formula:	C13 H19 N3 O4 S
SMILES:	C1N(CCC(C1)NC(=O)c3cc(C2CC2)on3)S(C)(=O)=O
InChi:	InChI=1S/C13H19N3O4S/c1-21(18,19)16-6-4-10(5-7-16)14-13(17)11-8-12(20-15-11)9-2-3-9/h8-10H,2-7H2,1H3,(H,14,17)
Definition date:	2019-06-07
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	5-cyclopropyl-N-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide

O6A

O6A
Name:	N-(1-{[4-(aminomethyl)phenyl]sulfonyl}piperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
Formula:	C19 H24 N4 O4 S
SMILES:	C2(CCN(S(c1ccc(CN)cc1)(=O)=O)CC2)NC(=O)c3cc(on3)C4CC4
InChi:	InChI=1S/C19H24N4O4S/c20-12-13-1-5-16(6-2-13)28(25,26)23-9-7-15(8-10-23)21-19(24)17-11-18(27-22-17)14-3-4-14/h1-2,5-6,11,14-15H,3-4,7-10,12,20H2,(H,21,24)
Definition date:	2019-06-12
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	N-(1-{[4-(aminomethyl)phenyl]sulfonyl}piperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide

P7F

P7F
Name:	(2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid
Formula:	C28 H30 N2 O6
SMILES:	CC[CH](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c3oc4ccccc4n3)c1)C(O)=O
InChi:	InChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)/t25-/m1/s1
Definition date:	2018-07-10
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	(2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid

BG9

BG9
Name:	(2E,2'E)-3,3'-(1,2-phenylene)di(prop-2-enoic acid)
Formula:	C12 H10 O4
SMILES:	c1ccc(c(c1)[C@H]=[C@H]C(O)=O)C=[C@H]C(O)=O
InChi:	InChI=1S/C12H10O4/c13-11(14)7-5-9-3-1-2-4-10(9)6-8-12(15)16/h1-8H,(H,13,14)(H,15,16)/b7-5+,8-6+
Definition date:	2019-01-31
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	(2E,2'E)-3,3'-(1,2-phenylene)di(prop-2-enoic acid)

C86

C86
Name:	N-[3-[(4S,6S)-2-azanyl-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
Formula:	C18 H16 F5 N5 O2 S
SMILES:	C[C]1(C[CH](SC(=N1)N)C(F)(F)F)c2cc(NC(=O)c3cnc(OCF)cn3)ccc2F
InChi:	InChI=1S/C18H16F5N5O2S/c1-17(5-13(18(21,22)23)31-16(24)28-17)10-4-9(2-3-11(10)20)27-15(29)12-6-26-14(7-25-12)30-8-19/h2-4,6-7,13H,5,8H2,1H3,(H2,24,28)(H,27,29)/t13-,17-/m0/s1
Definition date:	2019-04-12
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	~{N}-[3-[(4~{S},6~{S})-2-azanyl-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide

HS4

HS4
Name:	N-oxidanyl-2-[(4-phenylphenyl)sulfonylamino]ethanamide
Formula:	C14 H14 N2 O4 S
SMILES:	O=NC(=O)CNS(=O)(=O)c2ccc(c1ccccc1)cc2
InChi:	InChI=1S/C14H14N2O4S/c17-14(16-18)10-15-21(19,20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15,18H,10H2,(H,16,17)
Definition date:	2008-11-04
Last modified:	2020-01-07
Identifier:	N~2~-(biphenyl-4-ylsulfonyl)-N-oxoglycinamide

JT0

JT0
Name:	2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide
Formula:	C16 H19 Cl N2 O3 S
SMILES:	C(=O)(CCl)N(CCCOC)c2scc(c1ccc(cc1)OC)n2
InChi:	InChI=1S/C16H19ClN2O3S/c1-21-9-3-8-19(15(20)10-17)16-18-14(11-23-16)12-4-6-13(22-2)7-5-12/h4-7,11H,3,8-10H2,1-2H3
Definition date:	2019-07-10
Last modified:	2020-01-03
Release date:	2020-01-08
Identifier:	2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide

FXH

FXH
Name:	1-[(dimethylamino)methyl]naphthalen-2-ol
Formula:	C13 H15 N O
SMILES:	CN(C)Cc1c(O)ccc2ccccc12
InChi:	InChI=1S/C13H15NO/c1-14(2)9-12-11-6-4-3-5-10(11)7-8-13(12)15/h3-8,15H,9H2,1-2H3
Definition date:	2018-08-13
Last modified:	2020-01-03
Release date:	2020-01-08
Identifier:	1-[(dimethylamino)methyl]naphthalen-2-ol

EGE

EGE
Name:	4-azanyl-2-oxidanyl-5-[(~{E})-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid
Formula:	C18 H15 N5 O5 S
SMILES:	Nc1cc(O)c(cc1N=Nc2ccc(cc2)[S](=O)(=O)Nc3ccccn3)C(O)=O
InChi:	InChI=1S/C18H15N5O5S/c19-14-10-16(24)13(18(25)26)9-15(14)22-21-11-4-6-12(7-5-11)29(27,28)23-17-3-1-2-8-20-17/h1-10,24H,19H2,(H,20,23)(H,25,26)/b22-21+
Definition date:	2018-03-18
Last modified:	2020-01-03
Release date:	2020-01-08
Identifier:	4-azanyl-2-oxidanyl-5-[(~{E})-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid

EGH

EGH
Name:	(4~{R})-4-(5-bromanyl-2-fluoranyl-phenyl)-5,6,7-trimethoxy-3,4-dihydro-1~{H}-quinolin-2-one
Formula:	C18 H17 Br F N O4
SMILES:	COc1cc2NC(=O)C[CH](c3cc(Br)ccc3F)c2c(OC)c1OC
InChi:	InChI=1S/C18H17BrFNO4/c1-23-14-8-13-16(18(25-3)17(14)24-2)11(7-15(22)21-13)10-6-9(19)4-5-12(10)20/h4-6,8,11H,7H2,1-3H3,(H,21,22)/t11-/m0/s1
Definition date:	2018-03-18
Last modified:	2020-01-03
Release date:	2020-01-08
Identifier:	(4~{R})-4-(5-bromanyl-2-fluoranyl-phenyl)-5,6,7-trimethoxy-3,4-dihydro-1~{H}-quinolin-2-one

EGN

EGN
Name:	4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one
Formula:	C23 H32 N3 O2 S
SMILES:	CCN1C(=O)C=C(SCC(=O)N2CC[NH+](CC2)C3CCCCC3)c4ccccc14
InChi:	InChI=1S/C23H31N3O2S/c1-2-26-20-11-7-6-10-19(20)21(16-22(26)27)29-17-23(28)25-14-12-24(13-15-25)18-8-4-3-5-9-18/h6-7,10-11,16,18H,2-5,8-9,12-15,17H2,1H3/p+1
Definition date:	2018-03-19
Last modified:	2020-01-03
Release date:	2020-01-08
Identifier:	4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one

N2V

N2V
Name:	N-{(3S,8S)-3-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-7-[(1S)-1-phenylpropyl]-2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl}-4-(2,3-dimethylpyridin-4-yl)-L-phenylalanine
Formula:	C50 H47 Cl2 N3 O6
SMILES:	c2(ccc(OCc1cc(Cl)c(cc1)Cl)cc2)C7Oc6cc5CN(C(C(=O)NC(C(=O)O)Cc4ccc(c3c(c(C)ncc3)C)cc4)Cc5cc6OC7)C(c8ccccc8)CC
InChi:	InChI=1S/C50H47Cl2N3O6/c1-4-44(35-8-6-5-7-9-35)55-27-38-26-47-46(60-29-48(61-47)36-15-17-39(18-16-36)59-28-33-12-19-41(51)42(52)22-33)25-37(38)24-45(55)49(56)54-43(50(57)58)23-32-10-13-34(14-11-32)40-20-21-53-31(3)30(40)2/h5-22,25-26,43-45,48H,4,23-24,27-29H2,1-3H3,(H,54,56)(H,57,58)/t43-,44-,45-,48+/m0/s1
Definition date:	2019-05-01
Last modified:	2020-01-03
Release date:	2020-01-08
Identifier:	N-{(3S,8S)-3-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-7-[(1S)-1-phenylpropyl]-2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl}-4-(2,3-dimethylpyridin-4-yl)-L-phenylalanine

LMY

LMY
Name:	~{N}-[3-[[2-cyano-4-methyl-5-[[4-[[2-(methylamino)-6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]methanamide
Formula:	C32 H35 F3 N8 O S
SMILES:	CNc1nc(NC2CCN(CC2)Cc3ccc4n(CC56CC(C5)(C6)NC=O)c(cc4c3C)C#N)c7cc(CC(F)(F)F)sc7n1
InChi:	InChI=1S/C32H35F3N8OS/c1-19-20(3-4-26-24(19)9-22(12-36)43(26)17-30-14-31(15-30,16-30)38-18-44)13-42-7-5-21(6-8-42)39-27-25-10-23(11-32(33,34)35)45-28(25)41-29(37-2)40-27/h3-4,9-10,18,21H,5-8,11,13-17H2,1-2H3,(H,38,44)(H2,37,39,40,41)/t30-,31+
Definition date:	2019-03-04
Last modified:	2020-01-03
Release date:	2020-01-08
Identifier:	~{N}-[3-[[2-cyano-4-methyl-5-[[4-[[2-(methylamino)-6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]methanamide

SFH

SFH
Name:	5'-O-[(pyridine-3-carbonyl)sulfamoyl]adenosine
Formula:	C16 H17 N7 O7 S
SMILES:	C3(n1c2c(nc1)c(N)ncn2)OC(C(C3O)O)COS(NC(c4cnccc4)=O)(=O)=O
InChi:	InChI=1S/C16H17N7O7S/c17-13-10-14(20-6-19-13)23(7-21-10)16-12(25)11(24)9(30-16)5-29-31(27,28)22-15(26)8-2-1-3-18-4-8/h1-4,6-7,9,11-12,16,24-25H,5H2,(H,22,26)(H2,17,19,20)/t9-,11-,12-,16-/m1/s1
Definition date:	2019-10-09
Last modified:	2020-01-03
Release date:	2020-01-08
Identifier:	5'-O-[(pyridine-3-carbonyl)sulfamoyl]adenosine

L7Y

L7Y
Name:	5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1H)-one
Formula:	C23 H22 Cl N3 O3
SMILES:	Clc1ccc(cc1)C2=CNC(=O)C(=C2)CNc3cccc(c3)C(N4CCOCC4)=O
InChi:	InChI=1S/C23H22ClN3O3/c24-20-6-4-16(5-7-20)18-12-19(22(28)26-14-18)15-25-21-3-1-2-17(13-21)23(29)27-8-10-30-11-9-27/h1-7,12-14,25H,8-11,15H2,(H,26,28)
Definition date:	2019-02-11
Last modified:	2019-12-27
Release date:	2020-01-01
Identifier:	5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1H)-one

E7X

E7X
Name:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-hydroxyethyl)amino]-2-azaniumyl-butanoate
Formula:	C16 H25 N7 O6
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CN(CCO)CC[CH]([NH3+])C([O-])=O)[CH](O)[CH]3O
InChi:	InChI=1S/C16H25N7O6/c17-8(16(27)28)1-2-22(3-4-24)5-9-11(25)12(26)15(29-9)23-7-21-10-13(18)19-6-20-14(10)23/h6-9,11-12,15,24-26H,1-5,17H2,(H,27,28)(H2,18,19,20)/t8-,9+,11+,12+,15+/m0/s1
Definition date:	2019-11-14
Last modified:	2019-12-27
Release date:	2020-01-01
Identifier:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-hydroxyethyl)amino]-2-azaniumyl-butanoate

KHQ

KHQ
Name:	1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one
Formula:	C28 H31 F3 N8 O
SMILES:	C[CH](N1CCN(CC1)C(=O)CC(F)(F)F)c2ccnc(Nc3[nH]c4ccc(cc4n3)c5cnn(CC6CC6)c5)c2
InChi:	InChI=1S/C28H31F3N8O/c1-18(37-8-10-38(11-9-37)26(40)14-28(29,30)31)20-6-7-32-25(13-20)36-27-34-23-5-4-21(12-24(23)35-27)22-15-33-39(17-22)16-19-2-3-19/h4-7,12-13,15,17-19H,2-3,8-11,14,16H2,1H3,(H2,32,34,35,36)/t18-/m1/s1
Definition date:	2019-05-22
Last modified:	2019-12-27
Release date:	2020-01-01
Identifier:	1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one

KHT

KHT
Name:	~{N}-(cyclopropen-1-ylmethyl)-2-[[4-[[4-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]methyl]pyridin-2-yl]amino]-1~{H}-benzimidazole-5-carboxamide
Formula:	C25 H26 F3 N7 O2
SMILES:	FC(F)(F)CC(=O)N1CCN(CC1)Cc2ccnc(Nc3[nH]c4ccc(cc4n3)C(=O)NCC5=CC5)c2
InChi:	InChI=1S/C25H26F3N7O2/c26-25(27,28)13-22(36)35-9-7-34(8-10-35)15-17-5-6-29-21(11-17)33-24-31-19-4-3-18(12-20(19)32-24)23(37)30-14-16-1-2-16/h1,3-6,11-12H,2,7-10,13-15H2,(H,30,37)(H2,29,31,32,33)
Definition date:	2019-05-22
Last modified:	2019-12-27
Release date:	2020-01-01
Identifier:	~{N}-(cyclopropen-1-ylmethyl)-2-[[4-[[4-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]methyl]pyridin-2-yl]amino]-1~{H}-benzimidazole-5-carboxamide

FTW

FTW
Name:	5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide
Formula:	C36 H41 N5 O3
SMILES:	COc1ccc(CN2CCc3n(CCNC(C)(C)CO)nc(C(=O)NCc4cccc5ccccc45)c3C2)c6ccccc16
InChi:	InChI=1S/C36H41N5O3/c1-36(2,24-42)38-18-20-41-32-17-19-40(22-27-15-16-33(44-3)30-14-7-6-13-29(27)30)23-31(32)34(39-41)35(43)37-21-26-11-8-10-25-9-4-5-12-28(25)26/h4-16,38,42H,17-24H2,1-3H3,(H,37,43)
Definition date:	2018-07-27
Last modified:	2019-12-27
Release date:	2020-01-01
Identifier:	5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide

M9K

M9K
Name:	2-(6-chloranyl-7-cyclopropyl-thieno[3,2-d]pyrimidin-4-yl)sulfanylethanoic acid
Formula:	C11 H9 Cl N2 O2 S2
SMILES:	OC(=O)CSc1ncnc2c1sc(Cl)c2C3CC3
InChi:	InChI=1S/C11H9ClN2O2S2/c12-10-7(5-1-2-5)8-9(18-10)11(14-4-13-8)17-3-6(15)16/h4-5H,1-3H2,(H,15,16)
Definition date:	2019-10-09
Last modified:	2019-12-27
Release date:	2020-01-01
Identifier:	2-(6-chloranyl-7-cyclopropyl-thieno[3,2-d]pyrimidin-4-yl)sulfanylethanoic acid

<681 682 683 684 685 686 687688689 690 691 692 693 694 695 696 >

222624

数据于2024-07-17公开中

PDB statistics

PDBj update info

Contact PDBj

numon