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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00596183

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
P27{[2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-
2-(3,4-DIFLUOROPHENYL)PROPANE-1,3-
DIYL]BIS[4,1-PHENYLENE(DIFLUOROMETHYLENE)]}BIS(PHOSPHONIC ACID)
A1Q6M0.71
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.77
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE
B1XRW0.74
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.72
NSCN,N'-BIS(4-AMINO-2-METHYLQUINOLIN-
6-YL)UREA
A,B1PWP0.75
F11N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLPENTANE-1,5-DIAMINE
A2CMF0.76
QNC2-CARBONYLQUINOLINEA,B1MTB0.73
QNC2-CARBONYLQUINOLINEA,B2FGV0.73
QNC2-CARBONYLQUINOLINEI1IVQ0.73
QNC2-CARBONYLQUINOLINEA,B2FGU0.73
QNC2-CARBONYLQUINOLINEA1JLD0.73
QNC2-CARBONYLQUINOLINEA,B1HXB0.73
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.8
MM0N,N'-(dibenzo[b,j][1,7]phenanthroline-
2,10-diyldimethanediyl)dipropan-
1-amine
B2JWQ0.75
QYT(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-
1,3-THIAZOLIDINE-2,4-DIONE
A2A5U0.71
2MI2-METHYL-1H-INDOLEA2PIO0.72
T501-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-
4-METHYL-1H-BENZIMIDAZOLE
A2B6A0.72
PRLPROFLAVINH,I1BCU0.84
PRLPROFLAVINA,B,D,E1QVT0.84
PRLPROFLAVINA,B2KD40.84
PRLPROFLAVINA1QVU0.84
213A,B1Q6P0.71
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.72
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.78
BMON-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-
YLAMINO)PROPYL]PROPANE-1,3-DIAMINE
A2GJB0.75
TAQ2,4,6-TRIAMINOQUINAZOLINEA,B,C,D,E,F,
G,H
1W0C0.71
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.76
5803-(4-FLUOROPHENYL)-2-(6-METHYLPYRIDIN-
2-YL)-5,6-DIHYDRO-4H-PYRROLO[1,2-
B]PYRAZOLE
A1RW80.7
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.71
D236-(3-AMINOPHENYL)-N-(TERT-BUTYL)-
2-(TRIFLUOROMETHYL)QUINAZOLIN-4-
AMINE
A2B530.72
PRM3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-
6-PHENYLPHENANTHRIDINIUM
A,B1N5R0.74
DCUA,B1J070.74
AA7N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLHEPTANE-1,7-DIAMINE
A2CKM0.76
335[4-(2-(1H-1,2,3-BENZOTRIAZOL-1-
YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-
2-PHENYLPROPYL)PHENYL](DIFLUORO)METHYLPHOSPHONIC ACID
A1Q6J0.72
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.7
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.7
2146-[4-((2R)-2-(1H-1,2,3-BENZOTRIAZOL-
1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-
2-PHENYLPROPYL)PHENYL]-2-METHYLQUINOLIN-
8-YLPHOSPHONIC ACID
A,B1Q6S0.74
PYN3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-
1-YL-PROPIONYLAMINO)-ACRIDIN-3-
YL]-PROPIONAMIDE
A,B1L1H0.7
HUX3-CHLORO-9-ETHYL-6,7,8,9,10,11-
HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-
12-AMINE
A1E660.73
2AQQUINOLIN-2-AMINEA2OHL0.79
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.72
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.71
DX26-phenylpteridine-2,4,7-triamineA,B,C,D3BME0.75
DEQDEQUALINIUMA,B,D,E1JT60.77
DEQDEQUALINIUMA,B,D,E3BR20.77
DEQDEQUALINIUMA1OYD0.77
DEQDEQUALINIUMA,B,D,E3BT90.77
DEQDEQUALINIUMA,B,D,E3BTJ0.77
DEQDEQUALINIUMA,B,D,E3BR10.77
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.78
PHN1,10-PHENANTHROLINEA1LIH0.83
PHN1,10-PHENANTHROLINEA2LIG0.83
PHN1,10-PHENANTHROLINEA,B2FU70.83
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.7
THATACRINEA,B2AOW0.85
THATACRINEA,B,C,D,E,F1MX10.85
THATACRINEA,B2AOX0.85
THATACRINEA1ACJ0.85
RKAN,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-
PHENYLENE)DIBENZENECARBOXIMIDAMIDE
A2GYX0.71
ISQISOQUINOLINEA1GDK0.74
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.72
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.82
OA45-methyl-6-phenylquinazoline-2,4-
diamine
A2W6P0.71
NCQ3,6-Bis[3-(azepan-1-yl)propionamido]acridineA,B3EUM0.7
5IQISOQUINOLIN-5-AMINEA,B2F2T0.75
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.72
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.77
LG13,11-DIFLUORO-6,8,13-TRIMETHYL-
8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM
A,B,D1NZM0.75
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL
A1OZ10.75