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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02245954

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.73
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.72
KYNKYNURENINEA,B,C,D2R2N0.76
KYNKYNURENINEA,B3E2Z0.76
KYNKYNURENINEA1XT70.76
KYNKYNURENINEA1T5M0.76
KYNKYNURENINEA1T5N0.76
KYNKYNURENINEA2VOV0.76
KYNKYNURENINEA2VOX0.76
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.73
CRIA,B1VKG0.73
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.7
DPZ3,5-DIAMINOPHTHALHYDRAZIDEA1F3E0.72
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.72
APZ4-AMINOPHTHALHYDRAZIDEA1ENU0.75
AC01-PHENYLETHANONEA1ZK10.72
AC01-PHENYLETHANONEA1ZK40.72
PAB4-AMINOBENZOIC ACIDA1PBD0.71
PAB4-AMINOBENZOIC ACIDB2DZA0.71
PAB4-AMINOBENZOIC ACIDA1IUS0.71
PAB4-AMINOBENZOIC ACIDA1IUU0.71
PAB4-AMINOBENZOIC ACIDA1IUT0.71
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.8
ISNISATINA,B1OJA0.77
ISNISATINA,B2BK50.77
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.73
3AB3-aminobenzamideA,B,C,D3GOY0.89
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.74
BHOBENZHYDROXAMIC ACIDA,B1GX20.72
BHOBENZHYDROXAMIC ACIDA1HSR0.72
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.72
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.72
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.72
BHOBENZHYDROXAMIC ACIDA3GCK0.72
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.72
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.78
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.72
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE
A,B1XCU0.72
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.8
XYD2,5-DIMETHYLANILINEA1L4L0.8
ANCANTHRACEN-1-YLAMINEA,B1GT10.71
ANCANTHRACEN-1-YLAMINEA,B1HN20.71
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.71
NID4-NITRO-INDEN-1-ONEA,B1DOH0.81
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.74
PHMPHENYLALANYLMETHANEA,I1PJP0.73
PHMPHENYLALANYLMETHANEA,B,C2J9J0.73
PHMPHENYLALANYLMETHANEA,B,C2JE40.73
PRY2-PROPYL-ANILINEA1OWY0.79
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.76
9AP9-AMINOPHENANTHRENEA1EGY0.71
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.73
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.73
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.7
ISOPARA-ISOPROPYLANILINEA1BMA0.76
ISOPARA-ISOPROPYLANILINEA,B1ELC0.76
ISOPARA-ISOPROPYLANILINEA,B1ELB0.76
ISOPARA-ISOPROPYLANILINEA,B1ELA0.76
IBRA9EST0.74
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.75
GAB3-AMINOBENZOIC ACIDA,B3GSB0.75
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.75
GAB3-AMINOBENZOIC ACIDA3FHB0.75
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.7
34A3,4-DIMETHYLANILINEA1L4K0.76
BZQDIPHENYLMETHANONEA,B1GT50.7
BZQDIPHENYLMETHANONEA,B1DZP0.7
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
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.74
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE
A2PAX0.73
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.7
TSNTRICHOSTATIN AA,B1T640.78
TSNTRICHOSTATIN AA,B1C3R0.78
TSNTRICHOSTATIN AA,B,C3F0R0.78
TSNTRICHOSTATIN AA,B,C3C100.78