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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03620528

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.72
PRLPROFLAVINH,I1BCU0.75
PRLPROFLAVINA,B,D,E1QVT0.75
PRLPROFLAVINA,B2KD40.75
PRLPROFLAVINA1QVU0.75
238A2PRH0.76
SROSEROTONINA,B3BRN0.71
SROSEROTONINA2QEH0.71
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1R5Y0.73
DQU2,6-DIAMINO-3H-QUINAZOLIN-4-ONEA1Q4W0.73
PYN3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-
1-YL-PROPIONYLAMINO)-ACRIDIN-3-
YL]-PROPIONAMIDE
A,B1L1H0.71
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid
A3FR20.71
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID
A2BRL0.72
F11N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLPENTANE-1,5-DIAMINE
A2CMF0.71
THATACRINEA,B2AOW0.76
THATACRINEA,B,C,D,E,F1MX10.76
THATACRINEA,B2AOX0.76
THATACRINEA1ACJ0.76
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.7
1242-(2-HYDROXY-PHENYL)-1H-INDOLE-
5-CARBOXAMIDINE
A1GI60.74
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE
A2G5V0.71
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3G0.74
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3E0.74
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
H,I1O2G0.74
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
B1O5A0.74
6963-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3F0.74
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.71
7722-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4H0.72
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.81
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.8
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.8
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.8
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid
A3FR50.7
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE
B1XRW0.72
NSCN,N'-BIS(4-AMINO-2-METHYLQUINOLIN-
6-YL)UREA
A,B1PWP0.72
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.8
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.8
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
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.78
7IP6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHQ0.71
7NH[2'-HYDROXY-3'-(1H-PYRROLO[3,2-
C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]-
UREA
H2FLR0.71
FBQ1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-
3-YL)METHYL]THIO}METHYL)PHENYL]-
2,2,2-TRIFLUOROETHANE-1,1-DIOL
A1HBJ0.78
MTKMONTELUKASTA2NNI0.71
PRM3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-
6-PHENYLPHENANTHRIDINIUM
A,B1N5R0.71
DCUA,B1J070.71
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.73
QNDQUINALDIC ACIDA,B1IDA0.75
DEQDEQUALINIUMA,B,D,E1JT60.72
DEQDEQUALINIUMA,B,D,E3BR20.72
DEQDEQUALINIUMA1OYD0.72
DEQDEQUALINIUMA,B,D,E3BT90.72
DEQDEQUALINIUMA,B,D,E3BTJ0.72
DEQDEQUALINIUMA,B,D,E3BR10.72
2AQQUINOLIN-2-AMINEA2OHL0.71
CQA4-[(7-CHLOROQUINOLIN-4-YL)AMINO]-
2-[(DIETHYLAMINO)METHYL]PHENOL
A,B2AOU0.71
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A,B2QYN0.7
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A,B2QYK0.7
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A2QYL0.7
6006-[4-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-
1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-
2-PHENYLPROPYL)PHENYL]-2-[(1S)-
1-METHOXY-3-METHYLBUTYL]QUINOLIN-
8-YLPHOSPHONIC ACID
A,B1Q6T0.7
EES3-CHLORO-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL
A,B2QGW0.71
MM0N,N'-(dibenzo[b,j][1,7]phenanthroline-
2,10-diyldimethanediyl)dipropan-
1-amine
B2JWQ0.71
BRFA1UUO0.81
CRZ4-(9H-CARBAZOL-9-YL)BUTANOIC ACIDA1TOW0.71
T985-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-
2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-
1H-PYRROLE-2-CARBONITRILE
A,B1ZUC0.73
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.7
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.72
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID
A1Z8N0.7
AA7N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLHEPTANE-1,7-DIAMINE
A2CKM0.7
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.71
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.71
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.71
EI13-ETHYL-2-(4-HYDROXYPHENYL)-2H-
INDAZOL-5-OL
A,B2QAB0.76