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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01011070

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3202-(4-fluorophenyl)-N-{[3-fluoro-
4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide		A3CTJ0.71
AK64-methoxy-N-phenyl-3-({3-[(1H-pyrrolo[2,3-
b]pyridin-5-ylmethyl)sulfanyl]propanoyl}amino)benzamide		A3DJ60.76
MR94-METHYL-3-({3-[2-(METHYLAMINO)PYRIMIDIN-
4-YL]PYRIDIN-2-YL}OXY)-N-[2-MORPHOLIN-
4-YL-5-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE		A,B2P4I0.73
IMA[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-
BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-
METHYL)-PHENYL]-TRIMETHYL-AMMONIUM		B1LPG0.7
IMA[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL-
BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}-
METHYL)-PHENYL]-TRIMETHYL-AMMONIUM		A1LQE0.7
IIDN-(1-ISOPROPYLPIPERIDIN-4-YL)-1-
(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE		A,B2BQ70.71
T121-(3-HYDROXYPROPYL)-2-[(3-NITROBENZOYL)AMINO]-
1H-BENZIMIDAZOL-5-YL PIVALATE		A,B,C,D2NRU0.73
R862-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-
6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-
2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE		A2ORP0.74
090N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2-
C] QUINAZOLIN-5-YL)NICOTINAMIDE		A2CHX0.71
AAZN-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-
5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-
2-AMINE		A1Y6A0.75
TUI2-(4-(2-((3-(5-(PYRIDIN-2-YLTHIO)THIAZOL-
2-YL)UREIDO)METHYL)-1H-IMIDAZOL-
4-YL)PHENOXY)ACETIC ACID		A,B2Z6J0.75
AK53-({3-[(6-amino-5-bromopyrimidin-
4-yl)sulfanyl]propanoyl}amino)-
4-methoxy-N-phenylbenzamide		A3DJ50.73
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A,B2PSJ0.7
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A2F8P0.7
CEIN-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-
2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE		A1S360.7
C243-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-
5-CARBONYL}-PYRIDIN-2-YL-AMINO)-
PROPIONIC ACID ETHYL ESTER		B,C1KTS0.72
GNFN~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-
N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-
L-ALANINAMIDE		A,B2F1G0.71
BI92-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-
4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-
N-METHYLBENZAMIDE		A2JKK0.71
TFG2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-
5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-
1,1-DIOL		A,B2VQQ0.74
TFG2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-
5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-
1,1-DIOL		A,B2VQO0.74
TFG2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-
5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-
7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-
1,1-DIOL		A2VQJ0.74
GS22-[(2-{[1-(N,N-dimethylglycyl)-
5-methoxy-1H-indol-6-yl]amino}-
7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-
6-fluoro-N-methylbenzamide		A3EKK0.73
R784-{[(7R)-8-cyclopentyl-7-ethyl-
5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-
2-yl]amino}-3-methoxy-N-(1-methylpiperidin-
4-yl)benzamide		A2RKU0.71
BNE2-[3-(3-ETHYL-1-METHYL-2-OXO-AZEPAN-
3-YL)-PHENOXY]-4-[1-AMINO-1-(1-
METHYL-1H-IMIDIZOL-5-YL)-ETHYL]-
BENZONITRILE		B1MZC0.71
GS72-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-
7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide		A3ELJ0.71
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.72
E97[3-(4-{2'-[4-(3-DIMETHYLAMINO-PROPOXY)-
PHENYL]-3H,3'H-[5,5']BIBENZOIMIDAZOLYL-
2-YL}-PHENOXY)-PROPYL]-DIMETHYL-
AMINE		A1FTD0.71
R64(1-METHYL-1H-IMIDAZOL-2-YL)-(3-
METHYL-4-{3-[(PYRIDIN-3-YLMETHYL)-
AMINO]-PROPOXY}-BENZOFURAN-2-YL)-
METHANONE		A,B,C1IYL0.7
G6GN-{3-[(3-{4-[(4-methoxyphenyl)amino]-
1,3,5-triazin-2-yl}pyridin-2-yl)amino]-
4-methylphenyl}-4-[(4-methylpiperazin-
1-yl)methyl]benzamide		A,B3G6G0.72
MBC2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-
2-FURYL)-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE		A2I2I0.7
HA3N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-
a]pyrazin-7(8H)-yl)carbonyl]thiophene-
2-carboxamide		A,B2VQV0.71
HA3N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-
a]pyrazin-7(8H)-yl)carbonyl]thiophene-
2-carboxamide		A2VQM0.71
IBIN-{trans-4-[4-(cyclopropylmethyl)piperazin-
1-yl]cyclohexyl}-4-{[(7R)-7-ethyl-
5-methyl-8-(1-methylethyl)-6-oxo-
5,6,7,8-tetrahydropteridin-2-yl]amino}-
3-methoxybenzamide		A3FC20.7
PNU6-CHLORO-2-(1-FURO[2,3-C]PYRIDIN-
5-YL-ETHYLSULFANYL)-PYRIMIDIN-4-
YLAMINE		A1IKX0.71
BLZ5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-
1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-
2-THIOPHENECARBOXAMIDE		A,C2I400.76
FRL1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-
1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-
1H-IMIDAZOLE-4-CARBOXAMIDE		A1WXZ0.74
IZBN-[(1S)-1-(1H-BENZIMIDAZOL-2-YL)-
2-{4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-
5-YL]PHENYL}ETHYL]-4-METHYL-3,4-
DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONAMIDE		A2CNH0.7
215(1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-
1-ONE OXIME		A,B2FB80.7
2764-[[2-[[4-chloro-3-(trifluoromethyl)phenyl]amino]-
3H-benzimidazol-5-yl]oxy]-N-methyl-
pyridine-2-carboxamide		A2QU50.73
TNDN-1,2,3,4-TETRAHYDRONAPHTH-1-YL-
2'-[3,5-DIMETHOXYBENZAMIDO]-2'-
DEOXY-ADENOSINE		A,B,C,D,E,F1I330.7
U66(20S)-19,20,22,23-TETRAHYDRO-19-
OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-
6,10-METHENOBENZ[D]IMIDAZO[4,3-
L][1,6,9,13]OXATRIAZACYCLONOADECOSINE-
9-CARBONITRILE		B1LD70.72
BZCA1EFY0.72
0392-((9H-PURIN-6-YLTHIO)METHYL)-5-
CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-
4(3H)-ONE		A2CHW0.72
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)		A,D,U,X1FM60.74
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)		A,B2PRG0.74
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)		A1ZGY0.74
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)		A,B3CS80.74
BRL2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-
(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-
(9CL)		A,D3DZY0.74
P3Y5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-
B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-
3-CARBOXAMIDE		A2Z600.72
P3Y5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-
B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-
3-CARBOXAMIDE		A,B2QOH0.72
P416-[4-(2-fluorophenyl)-1,3-oxazol-
5-yl]-N-(1-methylethyl)-1,3-benzothiazol-
2-amine		A3C5U0.78
L3GN-(4-{4-AMINO-1-[1-(TETRAHYDRO-
2H-PYRAN-4-YL)PIPERIDIN-4-YL]-1H-
PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-
2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-
2-CARBOXAMIDE		A,B2C0T0.7
9933-CHLORO-4-(2-METHYLAMINO-IMIDAZOL-
1-YLMETHYL)-THIOPHENE-2-CARBOXYLIC ACID [4-
CHLORO-2-(5-CHLORO-PYRIDIN-2-YLCARBAMOYL)-
6-METHOXY-PHENYL]-AMIDE		B2P3T0.74
L2GN-(4-{1-[4-(4-ACETYLPIPERAZIN-1-
YL)-TRANS-CYCLOHEXYL]-4-AMINO-1H-
PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-
2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-
2-CARBOXAMIDE		A,B2C0O0.7
U49(20S)-19,20,21,22-TETRAHYDRO-19-
OXO-5H-18,20-ETHANO-12,14-ETHENO-
6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-
K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-
9-CARBONITRILE		A,B1LD80.7
6633-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN-
2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)-
4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE-
2-CARBOXAMIDE		B2P3U0.73
3HT5-[1-(4-methoxyphenyl)-1H-benzimidazol-
6-yl]-1,3,4-oxadiazole-2(3H)-thione		A,B3F880.72
SU9(3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-
5-METHOXY-1H-INDOL-2(3H)-ONE		A1PF80.78
1PMmethyl (3S)-3-{2-[(1,3-benzodioxol-
5-ylmethyl)amino]-2-oxoethyl}-4-
[2-(1H-imidazol-1-yl)pyrimidin-
4-yl]piperazine-1-carboxylate		A1DD70.7
E896-AMINO-4-[2-(4-METHOXYPHENYL)ETHYL]-
1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-
8-ONE		A,D1Y5X0.74
PUYPUROMYCINA,B2DPT0.71
PUYPUROMYCIN1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1Q7Y0.71
228N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-
1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-
4-YL]-D-PROLINAMIDE		A2ORO0.75