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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01100860

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GEQ5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-
1-YL]CARBONYL}-1H-INDOLE		A,B,C,D,E,F1P440.72
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.71
XMD(2R)-4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-
2-PIPERAZINECARBOXYLIC ACID ETHYL ESTER		A1IQF0.72
2C52-CHLORO-5-(3-CHLORO-PHENYL)-6-
[(4-CYANO-PHENYL)-(3-METHYL-3H-
IMIDAZOL-4-YL)- METHOXYMETHYL]-
NICOTINONITRILE		B1NI10.71
MHC3-MERCAPTO-1-(1,3,4,9-TETRAHYDRO-
B-CARBOLIN-2-YL)-PROPAN-1-ONE		A1NBP0.72
BI83-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1-METHYL-1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A,B2VD50.7
BI83-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1-METHYL-1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE		A1UVR0.7
AYM3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-
N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE		A,B1LXC0.74
3LP1-(CYCLOHEXYLAMINO)-3-(6-METHYL-
3,4-DIHYDRO-1H-CARBAZOL-9(2H)-YL)PROPAN-
2-OL		A,B,C,D,E,F2P6G0.71
LTNL-TRYPTOPHANAMIDEA1MAU0.71
LTNL-TRYPTOPHANAMIDEA,B2QUI0.71
TRFN1-FORMYL-TRYPTOPHANA,B1VRK0.71
TRFN1-FORMYL-TRYPTOPHANA,B,C,D1QS70.71
CMB1-(3-carbamimidoylbenzyl)-N-(3,5-
dichlorobenzyl)-4-methyl-1H-indole-
2-carboxamide		B1LPZ0.73
MB9(4R)-7-chloro-9-methyl-1-oxo-1,2,4,9-
tetrahydrospiro[beta-carboline-
3,4'-piperidine]-4-carbonitrile		A3CY20.77
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.72
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.72
ENSmethyl (2Z)-3-[(3-chloro-1H-indol-
7-yl)amino]-2-cyano-3-{[(3S)-2-
oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-
3-yl]amino}acrylate		A,B,D3ENS0.73
MB0(4R)-7,8-dichloro-1',9-dimethyl-
1-oxo-1,2,4,9-tetrahydrospiro[beta-
carboline-3,4'-piperidine]-4-carbonitrile		A3CXW0.73
SRS4-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.0(13,18)]NONADECA-
12(19),13(18),15,17-TETRAENE-10-
CARBAMOYL)PENTA-METHYLSULFONEDIIMINE		A1MMR0.73
CRF[2-(1-AMINO-2-HYDROXY-PROPYL)-4-
(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-IMIDAZOL-1-YL]-ACETALDEHYDE		A1CV70.71
NYC[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]-
4-(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID		A2Q570.71
NYC[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]-
4-(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID		A1OXE0.71
NYC[(4E)-2-[(1R,2S)-1-AMINO-2-HYDROXYPROPYL]-
4-(1H-INDOL-3-YLMETHYLENE)-5-OXO-
4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID		A1OXD0.71
ZAM3-[(ACETYL-METHYL-AMINO)-METHYL]-
4-AMINO-N-METHYL-N-(1-METHYL-1H-
INDOL-2-YLMETHYL)-BENZAMIDE		A,B1LX60.71
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE		A,B2PJL0.73
6CW6-CHLORO-L-TRYPTOPHANB2GV20.71
6CW6-CHLORO-L-TRYPTOPHANA,B2AXI0.71
6CW6-CHLORO-L-TRYPTOPHANA,L,M3FEA0.71
7784-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-
1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE		B,C,D,F,G,H,
I,J,K,L		1S640.75
7784-[(5-{[4-(3-CHLOROPHENYL)-3-OXOPIPERAZIN-
1-YL]METHYL}-1H-IMIDAZOL-1-YL)METHYL]BENZONITRILE		B1S630.75
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.7
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid		A,B2VYA0.71
2885-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL-
(2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}-
AMIDE		A,B1XOI0.73
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		A2J2U0.73
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B2DW00.71
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B2ERP0.71
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B2DW10.71
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B,D,E2E3X0.71
GM63-(N-HYDROXYCARBOXAMIDO)-2-ISOBUTYLPROPANOYL-
TRP-METHYLAMIDE		A,B1PWU0.71
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3C060.71
14C2-(2-chloropyridin-4-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione		A3C0A0.71
RDR4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-
1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-
C]PYRIDIN-2-YL]METHYL}PIPERAZIN-
2-ONE		A1NFX0.76
7CP(4R)-7,8-dichloro-1',9-dimethyl-
1-oxo-1,2,4,9-tetrahydrospiro[beta-
carboline-3,4'-piperidine]-4-carbonitrile		A3BHY0.73
T42MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACIDH,I1AI80.72
CP4BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL-
AMINOETHYL]-ETHYLENE GLYCOL		A,B1EM60.74
MDL[DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]-
[4,4,5,5,5-PENTAFLUORO-3-OXY-1-
[3-INDOLYL]-PENT-2-YL]AMINE		H,I1AD80.73
RSS5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-
12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)-
HEXANOIC ACID		A,B1MMP0.71
LI23-FLUORO-5-MORPHOLIN-4-YL-N-[3-
(2-PYRIDIN-4-YLETHYL)-1H-INDOL-
5-YL]BENZAMIDE		A1WBS0.75
LY4(9R)-9-[(DIMETHYLAMINO)METHYL]-
6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-
DIMETHENODIBENZO[E,K]PYRROLO[3,4-
H][1,4,13]OXADIAZACYCLOHEXADECINE-
18,20-DIONE		B2J2I0.74
LY4(9R)-9-[(DIMETHYLAMINO)METHYL]-
6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-
DIMETHENODIBENZO[E,K]PYRROLO[3,4-
H][1,4,13]OXADIAZACYCLOHEXADECINE-
18,20-DIONE		A1UU30.74
CHI5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-
(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-
1YL)-2-OXOETHYL]AMIDE		A1H5U0.73
CHI5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-
(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-
1YL)-2-OXOETHYL]AMIDE		A1C500.73
CHI5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID [1-
(4-FLUOROBENZYL)-2-(4-HYDROXYPIPERIDIN-
1YL)-2-OXOETHYL]AMIDE		A1LWO0.73
XMI4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE		A1IQK0.71
LI33-FLUORO-N-1H-INDOL-5-YL-5-MORPHOLIN-
4-YLBENZAMIDE		A1WBV0.75
XMA(-)-7-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]TETRAHYDRO-
8A-(METHOXYMETHYL)-1'-(4-PYRIDINYL)-
SPIRO[5H-OXAZOLO[3,2-A]PYRAZINE-
2(3H),4'-PIPERIDIN]-5-ONE		A1IOE0.75
ABZ4-[4-AMINO-6-(5-CHLORO-1H-INDOL-
4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-
BENZONITRILE		A1S9G0.72
J074-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-
2-yl]amino}-N-ethylpiperidine-1-
carboxamide		A2P330.72
P918-bromo-4-(2-chlorophenyl)-N-(2-
hydroxyethyl)-6-methyl-1,3-dioxo-
1,2,3,6-tetrahydropyrrolo[3,4-e]indole-
7-carboxamide		A3CQE0.7
DFN3-[3-(2,3-DIHYDROXY-PROPYLAMINO)-
PHENYL]-4-(5-FLUORO-1-METHYL-1H-
INDOL-3-YL)-PYRROLE-2,5-DIONE		A,B1R0E0.7
ME43-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO)CYCLOHEXYL)-
1H-INDOLE-6-CARBOXAMIDE		A2P940.74
5CBN-(5-CHLORO-BENZO[B]THIOPHEN-3-
YLMETHYL)-2-[6-CHLORO-OXO-3-(2-
PYRIDIN-2-YL-ETHYLAMINO)-2H-PYRAZIN-
1-YL]-ACETAMIDE		H,I2BVX0.72
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE		A1ZS50.73
WBT3-FLUORO-5-MORPHOLIN-4-YL-N-[1-
(2-PYRIDIN-4-YLETHYL)-1H-INDOL-
6-YL]BENZAMIDE		A1WBT0.74
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID		A2BRK0.72
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.71
RRSN4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-
1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-
12(19),13,15,17-TETRAEN-10-YL)-
SUCCINAMIDE		A1MMQ0.73
XMJ4-[[(1E)-2-(4-CHLOROPHENYL)ETHENYL]SULFONYL]-
1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]PIPERAZINONE		A1IQL0.71
RRR4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-
1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-
2-ONE		A1NFW0.71
XMC4-[[4-[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]-
6-OXO-1-[[1-(4-PYRIDINYL)-4-PIPERIDINYL]METHYL]-
2-PIPERAZINYL]CARBONYL]MORPHOLINE		A1IQN0.72
IIE1-{2-[(4-CHLOROPHENYL)AMINO]-2-
OXOETHYL}-N-(1-ISOPROPYLPIPERIDIN-
4-YL)-1H-INDOLE-2-CARBOXAMIDE		B2BQW0.76