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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01234889

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5Z55-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]-
2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE		A2JAV0.72
770N-[4-(2-CHLOROPHENYL)-1,3-DIOXO-
1,2,3,6-TETRAHYDROPYRROLO[3,4-C]CARBAZOL-
9-YL]FORMAMIDE		A2Z2W0.71
ME15-CHLORO-N-(2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-
2-CARBOXAMIDE		A2P930.72
RDR4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-
1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-
C]PYRIDIN-2-YL]METHYL}PIPERAZIN-
2-ONE		A1NFX0.7
SBR(R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-
4-SULFAMOYL-BENZAMIDE		A1IF70.76
K88(3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-
TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-
2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE		A,D2WEL0.74
GSV2-(5-chlorothiophen-2-yl)-N-{(3S)-
1-[3-fluoro-2'-(methylsulfonyl)biphenyl-
4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide		A2VH60.7
IIE1-{2-[(4-CHLOROPHENYL)AMINO]-2-
OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-
4-YL)-1H-INDOLE-2-CARBOXAMIDE		B2BQW0.75
ZENT1J170.71
ZENA1QL90.71
ZENT1V2K0.71
ZENA1QL80.71
ZENA1QL70.71
CNQ3-(4-CHLOROPHENYL)QUINOXALINE-5-
CARBOXAMIDE		A,B,C,D1WOK0.72
D92N-((1R,2S)-2-(5-CHLORO-1H-INDOLE-
2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-
4,5,6,7-TETRAHYDROTHIAZOLO[5,4-
C]PYRIDINE-2-CARBOXAMIDE		A2EI60.77
274(3Z)-N-(3-CHLOROPHENYL)-3-({3,5-
DIMETHYL-4-[(4-METHYLPIPERAZIN-
1-YL)CARBONYL]-1H-PYRROL-2-YL}METHYLENE)-
N-METHYL-2-OXOINDOLINE-5-SULFONAMIDE		A2J7T0.79
ME43-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO)CYCLOHEXYL)-
1H-INDOLE-6-CARBOXAMIDE		A2P940.71
D93N-((1R,2R)-2-(5-CHLORO-1H-INDOLE-
2-CARBOXAMIDO)CYCLOHEXYL)-5-METHYL-
4,5,6,7-TETRAHYDROTHIAZOLO[5,4-
C]PYRIDINE-2-CARBOXAMIDE		A2EI70.77
1802-(S)-[N-(3-PYRIDYLSULFONYL)AMINO]-
3-[[2-CARBONYL-5-[2-(PIPERIDIN-
4-YL)ETHYL]-THIENO[2,3-B]THIOPHENEYL]AMINO]-
PROPIONIC ACID		A,B2VC20.72
815THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [1-
(1-AMINO-ISOQUINOLIN-7-YLMETHYL)-
2-OXO-PYRROLDIN-3-YL]-AMIDE		A1F0R0.71
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A465D0.72
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A452D0.72
FRX(S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYLAMINO)-
2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-
3-YL)-6H-THIENO[2,3-B]PYRROLE-5-
CARBOXAMIDE		A,B2IEI0.76
XMB4-[(2R)-3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-
1-OXO-2-[[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]AMINO]PROPYL]-
THIOMORPHOLINE-1,1-DIOXIDE		A1IQE0.71
RRR4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-
1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-
2-ONE		A1NFW0.72
3TH2-CHLORO-N-[(3R)-2-OXO-1,2,3,4-
TETRAHYDROQUINOLIN-3-YL]-6H-THIENO[2,3-
B]PYRROLE-5-CARBOXAMIDE		A2GM90.8
IIA1-{[5-(5-CHLORO-2-THIENYL)ISOXAZOL-
3-YL]METHYL}-N-(1-ISOPROPYLPIPERIDIN-
4-YL)-1H-INDOLE-2-CARBOXAMIDE		A,B2BOH0.7
ME55-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-
2-CARBOXAMIDE		A2P950.71
CMB1-(3-carbamimidoylbenzyl)-N-(3,5-
dichlorobenzyl)-4-methyl-1H-indole-
2-carboxamide		B1LPZ0.72
XLC3-CHLORO-N-[4-CHLORO-2-[[(4-CHLOROPHENYL)AMINO]CARBONYL]PHENYL]-
4-[(4-METHYL-1-PIPERAZINYL)METHYL]-
2-THIOPHENECARBOXAMIDE		A,L1MQ50.71
NHBN-HYDROXY-4-(METHYL{[5-(2-PYRIDINYL)-
2-THIENYL]SULFONYL}AMINO)BENZAMIDE		A,B1W220.78
AM8N-(3-chlorophenyl)-N-methyl-2-oxo-
3-[(3,4,5-trimethyl-1H-pyrrol-2-
yl)methyl]-2H-indole-5-sulfonamide		A2RFS0.79
DT8N-((1R,2S,5S)-2-(5-CHLORO-1H-INDOLE-
2-CARBOXAMIDO)-5-(DIMETHYLCARBAMOYL)CYCLOHEXYL)-
5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-
C]PYRIDINE-2-CARBOXAMIDE		A2EI80.77
QINN-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHYL)HEXYL]-
2-({[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)-
6-[METHYL(METHYLSULFONYL)AMINO]ISONICOTINAMIDE		A2OAH0.72
FXAN-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-
4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE		A3CEN0.72
WACN-{3-[(12bS)-7-oxo-1,3,4,6,7,12b-
hexahydroindolo[2,3-a]quinolizin-
12(2H)-yl]propyl}propane-2-sulfonamide		B1S1S0.73
MB9(4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-
tetrahydrospiro[beta-carboline-
3,4'-piperidine]-4-carbonitrile		A3CY20.71
PF3(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-
THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID		A,B1UTZ0.74
SBBN-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL-
BENZAMIDE		A1IF90.77
B97(10R)-10-methyl-3-(6-methylpyridin-
3-yl)-9,10,11,12-tetrahydro-8H-
[1,4]diazepino[5',6':4,5]thieno[3,2-
f]quinolin-8-one		X3FYJ0.75
D76(2R)-4-[(6-CHLORO-2-NAPHTHYL)SULFONYL]-
1-[(5-METHYL-4,5,6,7-TETRAHYDRO[1,3]THIAZOLO[5,4-
C]PYRIDIN-2-YL)CARBONYL]PIPERAZINE-
2-CARBOXAMIDE		A1V3X0.71
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide		A3HNG0.72
GSQ5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-
2-MORPHOLIN-4-YL-2-5-CHLORO-N-{(3S)-
1-[(1S)-1-METHYL-2-MORPHOLIN-4-
YL-2-SULFONAMIDE		A2J2U0.71
J605-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]-N-[2-
(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-
1H-PYRROLE-3-CARBOXAMIDE		A,B2JAM0.71
43B3-NITRO-N-{4-[2-(2-PHENYLETHYL)-
1,3-BENZOTHIAZOL-5-YL]BENZOYL}-
4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE		A2O210.72
43B3-NITRO-N-{4-[2-(2-PHENYLETHYL)-
1,3-BENZOTHIAZOL-5-YL]BENZOYL}-
4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE		A2O1Y0.72
43B3-NITRO-N-{4-[2-(2-PHENYLETHYL)-
1,3-BENZOTHIAZOL-5-YL]BENZOYL}-
4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE		A1YSN0.72
43B3-NITRO-N-{4-[2-(2-PHENYLETHYL)-
1,3-BENZOTHIAZOL-5-YL]BENZOYL}-
4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE		A1YSW0.72
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE		A,B1RQY0.73
D012-({4-[(5-CHLORO-1H-INDOL-2-YL)SULFONYL]PIPERAZIN-
1-YL}CARBONYL)THIENO[3,2-B]PYRIDINE 4-
OXIDE		A2D1J0.78
SBS(S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-
4-SULFAMOYL-BENZAMIDE		A1IF80.76
796N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-
5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-
2-CARBOXAMIDE		A2GU80.73
CHI5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-
(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-
1YL)-2-OXOETHYL]AMIDE		A1H5U0.7
CHI5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-
(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-
1YL)-2-OXOETHYL]AMIDE		A1C500.7
CHI5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-
(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-
1YL)-2-OXOETHYL]AMIDE		A1LWO0.7
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN20.73
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN10.73