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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00138700

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3G0.73
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3E0.73
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
H,I1O2G0.73
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
B1O5A0.73
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3F0.73
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.75
NSCN,N'-BIS(4-AMINO-2-METHYLQUINOLIN-
6-YL)UREA
A,B1PWP0.73
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE
A1YXX0.7
DCUA,B1J070.7
EES3-CHLORO-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL
A,B2QGW0.73
THATACRINEA,B2AOW0.76
THATACRINEA,B,C,D,E,F1MX10.76
THATACRINEA,B2AOX0.76
THATACRINEA1ACJ0.76
BMON-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-
YLAMINO)PROPYL]PROPANE-1,3-DIAMINE
A2GJB0.72
FBQ1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-
3-YL)METHYL]THIO}METHYL)PHENYL]-
2,2,2-TRIFLUOROETHANE-1,1-DIOL
A1HBJ0.79
QUNQUINACRINEA,B1JQE0.77
1BM3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-
{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-
4-YL]AMINO}-4-METHYLPHENOL
A2HK50.71
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.71
IOKN-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-
2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE
A,B2IOK0.72
1242-(2-HYDROXY-PHENYL)-1H-INDOLE-
5-CARBOXAMIDINE
A1GI60.77
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1R5Y0.77
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1Q4W0.77
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.73
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
H1O5E0.71
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
B1GJ70.71
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
H,I1GJ40.71
1326-CHLORO-2-(2-HYDROXY-BIPHENYL-
3-YL)-1H-INDOLE-5-CARBOXAMIDINE
A1GJ60.71
COG2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-
N-METHYLAMINO]QUINAZOLINE
A1LY30.71
MM0N,N'-(dibenzo[b,j][1,7]phenanthroline-
2,10-diyldimethanediyl)dipropan-
1-amine
B2JWQ0.72
7NH[2'-HYDROXY-3'-(1H-PYRROLO[3,2-
C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-
UREA
H2FLR0.74
EI13-ETHYL-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL
A,B2QAB0.78
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.75
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.75
PRM3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-
6-PHENYLPHENANTHRIDINIUM
A,B1N5R0.71
CQA4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-
2-[(DIETHYLAMINO)METHYL]PHENOL
A,B2AOU0.81
7IP6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHQ0.73
ASEN-ACETYL SEROTONINA1NAS0.7
GK14-{4-[(5-hydroxy-2-methylphenyl)amino]quinolin-
7-yl}-1,3-thiazole-2-carbaldehyde
A2ZAZ0.71
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.8
DTQ4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINEA1DI80.73
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.74
BRFA1UUO0.71
DEQDEQUALINIUMA,B,D,E1JT60.73
DEQDEQUALINIUMA,B,D,E3BR20.73
DEQDEQUALINIUMA1OYD0.73
DEQDEQUALINIUMA,B,D,E3BT90.73
DEQDEQUALINIUMA,B,D,E3BTJ0.73
DEQDEQUALINIUMA,B,D,E3BR10.73
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.84
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.84
F11N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLPENTANE-1,5-DIAMINE
A2CMF0.73
PRLPROFLAVINH,I1BCU0.76
PRLPROFLAVINA,B,D,E1QVT0.76
PRLPROFLAVINA,B2KD40.76
PRLPROFLAVINA1QVU0.76
AA7N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLHEPTANE-1,7-DIAMINE
A2CKM0.72
MQ15-(4-METHOXYPHENOXY)-2,4-QUINAZOLINEDIAMINEA,B1M790.71
QNDQUINALDIC ACIDA,B1IDA0.72
7722-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4H0.79
SROSEROTONINA,B3BRN0.73
SROSEROTONINA2QEH0.73
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.84
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.84
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.84
IOS3-SULFOOXY-1H-INDOLEA,B2BXH0.7