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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02021045

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.7
ABZ4-[4-AMINO-6-(5-CHLORO-1H-INDOL-
4-YLMETHYL)-[1,3,5]TRIAZIN-2-YLAMINO]-
BENZONITRILE
A1S9G0.76
SX72-amino-5-[3-(1-ethyl-1H-pyrazol-
5-yl)-1H-pyrrolo[2,3-b]pyridin-
5-yl]-N,N-dimethylbenzamide
A,B3DK30.74
SX72-amino-5-[3-(1-ethyl-1H-pyrazol-
5-yl)-1H-pyrrolo[2,3-b]pyridin-
5-yl]-N,N-dimethylbenzamide
A,B3DK70.74
SX72-amino-5-[3-(1-ethyl-1H-pyrazol-
5-yl)-1H-pyrrolo[2,3-b]pyridin-
5-yl]-N,N-dimethylbenzamide
A,B3DK60.74
M031-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-yl]methanamine
A,I2VO00.73
C8C2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-
4(3H)-one
A2VA50.73
KS11-cyclopentyl-3-(1H-pyrrolo[2,3-
b]pyridin-5-yl)-1H-pyrazolo[3,4-
d]pyrimidin-4-amine
A,B3EN40.73
SX86-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-
b]pyridazin-3-yl]sulfanyl}quinoline
A3DKG0.73
SX86-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-
b]pyridazin-3-yl]sulfanyl}quinoline
A3DKF0.73
057N-(2-hydroxy-1,1-dimethylethyl)-
1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-
2-yl)-1H-indole-5-carboxamide
A,B3FQH0.72
STS2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-
1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM
A1Y8J0.71
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE
A1XWS0.72
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE
B2BIK0.72
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE
A1ZRZ0.72
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE
B2BIL0.72
BI13-{1-[3-(DIMETHYLAMINO)PROPYL]-
1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE
A1UU80.72
J074-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-
2-yl]amino}-N-ethylpiperidine-1-
carboxamide
A2P330.8
BIMBIS-(INDOLE)MALEIMIDE PYRIDINOPHANEA,B2OW30.71
M054-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-aminium
A2VO70.73
M054-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-aminium
A2VO60.73
BMI3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-
1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-
2-YLMETHYL)AMINO]PYRIDIN-2(1H)-
ONE
A2OJ90.71
AK21-(3-chlorophenyl)-3-{5-[2-(thieno[3,2-
d]pyrimidin-4-ylamino)ethyl]-1,3-
thiazol-2-yl}urea
A3D150.72
AYM3-(6-AMINOPYRIDIN-3-YL)-N-METHYL-
N-[(1-METHYL-1H-INDOL-2-YL)METHYL]ACRYLAMIDE
A,B1LXC0.72
3FR3'-chloro-5'-(3-methyl-6-{[(1S)-
1-phenylethyl]amino}-1H-pyrazolo[4,3-
c]pyridin-1-yl)biphenyl-2-carboxamide
A3DBD0.75
170(2-[6-CHLORO-3-{[2,2-DIFLUORO-2-
(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-
2-OXOPYRAZIN-1(2H)-YL]-N-[5-CHLORO-
2-(1H-TETRAZOL-1-YL)BENZYL]ACETAMIDE
A,B1SL30.71
PD51-{4-[4-amino-1-(1-methylethyl)-
1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-
3-[3-(trifluoromethyl)phenyl]urea
A3EL80.7
CP93-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-
1-YL)BENZYL]-3H-BENZOTHIAZOL-2-
ONE
A1TV60.71
DRNBISINDOLYLMALEIMIDE IXA2V7O0.73
BI33-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-
2,5-DIONE
A1UU90.72
M041-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-yl]methanamine
A2VO30.73
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.7
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
A1MMR0.71
PD31-{3-[(4-amino-1-cyclopentyl-1H-
pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}-
3-[3-(trifluoromethyl)phenyl]urea
A3EL70.7
BI83-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1-METHYL-1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE
A,B2VD50.71
BI83-[1-(3-AMINOPROPYL)-1H-INDOL-3-
YL]-4-(1-METHYL-1H-INDOL-3-YL)-
1H-PYRROLE-2,5-DIONE
A1UVR0.71
BI23-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-
1-METHYLPYRROLIDINYL]ETHYL}-1H-
INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
A1UU70.71
DZO3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-
a]pyrimidin-5-amine
A3E7V0.7
BI43-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-
2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-
2,5-DIONE
A,B1SZM0.71
2FR3-[3-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-
1H-pyrazolo[4,3-c]pyridin-1-yl)phenyl]propanamide
A3DBC0.72
G95N-[(1S)-2-amino-1-phenylethyl]-
5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-
2-carboxamide
A,B3E870.7
D915-CHLORO-2-({3-ISOBUTYL-4-[(5-PYRIDIN-
4-YLPYRIMIDIN-2-YL)CARBONYL]PIPERAZIN-
1-YL}SULFONYL)-1H-INDOLE
A1WU10.76
JAN6-[(S)-AMINO(4-CHLOROPHENYL)(1-
METHYL-1H-IMIDAZOL-5-YL)METHYL]-
4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-
2(1H)-ONE
B1X810.7
JAN6-[(S)-AMINO(4-CHLOROPHENYL)(1-
METHYL-1H-IMIDAZOL-5-YL)METHYL]-
4-(3-CHLOROPHENYL)-1-METHYLQUINOLIN-
2(1H)-ONE
B1SA40.7
KSFN-(2-chlorophenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZM10.7
PP21-TERT-BUTYL-3-(4-CHLORO-PHENYL)-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
A,B3GEQ0.71
PP21-TERT-BUTYL-3-(4-CHLORO-PHENYL)-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
A2ZV90.71
PP21-TERT-BUTYL-3-(4-CHLORO-PHENYL)-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
A1QPE0.71
MDL[DEHYDROXY-N-METHYL-TYROSYL-PROLINYL]-
[4,4,5,5,5-PENTAFLUORO-3-OXY-1-
[3-INDOLYL]-PENT-2-YL]AMINE
H,I1AD80.7
IDN(E)-N-METHYL-N-(1-METHYL-1H-INDOL-
3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-
[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE
A,B1MFP0.71
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE
A2OHT0.71
1001-(5-CHLOROINDOL-3-YL)-3-HYDROXY-
3-(2H-TETRAZOL-5-YL)-PROPENONE
A,B,C1QS40.72
CQUN-[2-(5-methyl-4H-1,2,4-triazol-
3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-
4-amine
A3CQU0.75
RRR4-{[(E)-2-(5-CHLOROTHIEN-2-YL)VINYL]SULFONYL}-
1-(1H-PYRROLO[3,2-C]PYRIDIN-2-YLMETHYL)PIPERAZIN-
2-ONE
A1NFW0.71
P5BN-(ETHYLSULFONYL)TRYPTOPHYL-N~1~-
{4-[AMINO(IMINO)METHYL]BENZYL}GLUTAMAMIDE
H,L1WUN0.71