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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00446281

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.71
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.74
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.74
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.74
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.73
LGD6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]-
4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)-
ONE
A2HVC0.86
LI63,4-DIHYDROXY-1-METHYLQUINOLIN-
2(1H)-ONE
A1YXV0.73
GWB4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-
3-ISOPROPYLQUINOLIN-2(1H)-ONE
A1TKX0.73
LFNLUMIFLAVINA2CCC0.7
SN81,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-
4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM
A,B1ZPH0.76
1556-[(Z)-AMINO(IMINO)METHYL]-N-(1-
ISOPROPYL-3,4-DIHYDROISOQUINOLIN-
7-YL)-2-NAPHTHAMIDE
A1OWJ0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.74
ISOPARA-ISOPROPYLANILINEA,B1ELC0.74
ISOPARA-ISOPROPYLANILINEA,B1ELB0.74
ISOPARA-ISOPROPYLANILINEA,B1ELA0.74
A8BA1ODC0.73
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.72
HFTHYDROXYFLUTAMIDEA2AX60.7
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME
A,B1Q410.7
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME
A,B1UNH0.7
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME
A2QKR0.7
3AB3-aminobenzamideA,B,C,D3GOY0.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.73
221(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}-
2-CYANO-3-THIOXOPROPANAMIDE
A,B2IJN0.7
34A3,4-DIMETHYLANILINEA1L4K0.73
9AP9-AMINOPHENANTHRENEA1EGY0.7
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.72
6756-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL-
2-NAPHTHAMIDE
A1OWE0.72
PRY2-PROPYL-ANILINEA1OWY0.75
UFO1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-
6-yl)methanamine
A,B,D3GQT0.71
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.72
H166-CHLORO-4-(CYCLOHEXYLSULFANYL)-
3-PROPYLQUINOLIN-2(1H)-ONE
A1TKZ0.76
BSU1,3-DIPHENYLUREAA3E850.71
BSU1,3-DIPHENYLUREAA2ZJF0.71
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.71
ISNISATINA,B1OJA0.72
ISNISATINA,B2BK50.72
H186-CHLORO-4-(CYCLOHEXYLSULFINYL)-
3-PROPYLQUINOLIN-2(1H)-ONE
A1TL10.74
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.72
XYD2,5-DIMETHYLANILINEA1L4L0.72
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.73
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.73
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.73
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.73
CRIA,B1VKG0.72
12Q1-METHYLQUINOLIN-2(1H)-ONEA,B2F640.88
G1L3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDEA,B2I800.79
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.75
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.84
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.76
PYQPYROQUILONA1JA90.71
PYQPYROQUILONA,B,C,D1G0O0.71
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.93
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
A,B2HZ00.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.76
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.76
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.7
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.79
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE
A1S380.76
G3E3-hydroxyquinolin-2(1H)-oneA,B,C,D3G3E0.85
IDMINDOLINEA,B3CEP0.74
IDMINDOLINEA1AEK0.74
TSNTRICHOSTATIN AA,B1T640.72
TSNTRICHOSTATIN AA,B1C3R0.72
TSNTRICHOSTATIN AA,B,C3F0R0.72
TSNTRICHOSTATIN AA,B,C3C100.72
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B3GEY0.71
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A3CE00.71
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B1XK90.71
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A2Q6M0.71
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B,C,D,E,F1ZM90.71
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.72
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.7
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1TV50.71
A262-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL-
PHENYL)-BUTYRAMIDE
A1D3H0.71
SH4(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATEH1UM40.7
NYLN-ALLYL-ANILINEA1OVK0.7
TK42-ACETYLAMINO-NAPTHALENE-1,5-DISULFONIC ACIDH,L1C5C0.71
CBE2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-
OXATHIINE-3-CARBOXAMIDE
A,B,C,D,N,O,
P,Q
2FBW0.73
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE
A2PAX0.73