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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00051136

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.73
XYD2,5-DIMETHYLANILINEA1L4L0.73
1AN2-FLUOROANILINEA1LGW0.72
ISNISATINA,B1OJA0.74
ISNISATINA,B2BK50.74
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.72
DPZ3,5-DIAMINOPHTHALHYDRAZIDEA1F3E0.72
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.73
PRY2-PROPYL-ANILINEA1OWY0.72
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.7
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.73
NID4-NITRO-INDEN-1-ONEA,B1DOH0.75
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.73
BHOBENZHYDROXAMIC ACIDA,B1GX20.78
BHOBENZHYDROXAMIC ACIDA1HSR0.78
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.78
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.78
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.78
BHOBENZHYDROXAMIC ACIDA3GCK0.78
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.78
3AB3-aminobenzamideA,B,C,D3GOY0.96
34A3,4-DIMETHYLANILINEA1L4K0.72
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.74
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.73
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.75
TSNTRICHOSTATIN AA,B1T640.74
TSNTRICHOSTATIN AA,B1C3R0.74
TSNTRICHOSTATIN AA,B,C3F0R0.74
TSNTRICHOSTATIN AA,B,C3C100.74
KYNKYNURENINEA,B,C,D2R2N0.7
KYNKYNURENINEA,B3E2Z0.7
KYNKYNURENINEA1XT70.7
KYNKYNURENINEA1T5M0.7
KYNKYNURENINEA1T5N0.7
KYNKYNURENINEA2VOV0.7
KYNKYNURENINEA2VOX0.7
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.74
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.77
GAB3-AMINOBENZOIC ACIDA,B3GSB0.77
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.77
GAB3-AMINOBENZOIC ACIDA3FHB0.77
BOSN-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDEA2HD60.71
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE
A2PAX0.72
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.71
PAB4-AMINOBENZOIC ACIDA1PBD0.73
PAB4-AMINOBENZOIC ACIDB2DZA0.73
PAB4-AMINOBENZOIC ACIDA1IUS0.73
PAB4-AMINOBENZOIC ACIDA1IUU0.73
PAB4-AMINOBENZOIC ACIDA1IUT0.73
IBRA9EST0.72
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.72
CRIA,B1VKG0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.76
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.76
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.76
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.76
APZ4-AMINOPHTHALHYDRAZIDEA1ENU0.79
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.77
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.73
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.72
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.72
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.73
BE22-AMINOBENZOIC ACIDE,I1ZFP0.73
BE22-AMINOBENZOIC ACIDA,B2HU80.73
BE22-AMINOBENZOIC ACIDA,B1AN90.73
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.73
BE22-AMINOBENZOIC ACIDA,B2YR60.73
BE22-AMINOBENZOIC ACIDA,I1E8N0.73
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.73
BE22-AMINOBENZOIC ACIDA1C0I0.73
BE22-AMINOBENZOIC ACIDA,B2JB30.73
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.73