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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006171

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BHOBENZHYDROXAMIC ACIDA,B1GX20.73
BHOBENZHYDROXAMIC ACIDA1HSR0.73
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.73
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.73
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.73
BHOBENZHYDROXAMIC ACIDA3GCK0.73
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.73
MAQ2-AMINO-8-METHYLQUINAZOLIN-4(3H)-
ONE
A1S380.72
NID4-NITRO-INDEN-1-ONEA,B1DOH0.78
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.72
ISOPARA-ISOPROPYLANILINEA1BMA0.75
ISOPARA-ISOPROPYLANILINEA,B1ELC0.75
ISOPARA-ISOPROPYLANILINEA,B1ELB0.75
ISOPARA-ISOPROPYLANILINEA,B1ELA0.75
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
A,B2HZ00.71
KYNKYNURENINEA,B,C,D2R2N0.81
KYNKYNURENINEA,B3E2Z0.81
KYNKYNURENINEA1XT70.81
KYNKYNURENINEA1T5M0.81
KYNKYNURENINEA1T5N0.81
KYNKYNURENINEA2VOV0.81
KYNKYNURENINEA2VOX0.81
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE
A2PAX0.71
APZ4-AMINOPHTHALHYDRAZIDEA1ENU0.73
34A3,4-DIMETHYLANILINEA1L4K0.75
SG21-METHYL-3-OXO-1,3-DIHYDRO-BENZO[C]ISOTHIAZOLE-
5-SULFONIC ACID AMIDE
A1KWR0.72
3AB3-aminobenzamideA,B,C,D3GOY0.86
BRYA2BHE0.7
SX12-amino-5-bromobenzoic acidA,B3CIZ0.71
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.77
AC01-PHENYLETHANONEA1ZK10.73
AC01-PHENYLETHANONEA1ZK40.73
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.71
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.77
XYD2,5-DIMETHYLANILINEA1L4L0.77
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.72
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.71
DPZ3,5-DIAMINOPHTHALHYDRAZIDEA1F3E0.74
EBW4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-
3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-
2-ENYLBENZENAMINIUM
A1E3Q0.72
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.7
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.86
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.71
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.71
IBRA9EST0.72
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.71
PRY2-PROPYL-ANILINEA1OWY0.79
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.75
AAPALPHA-(2,6-DICHLOROPHENYL)-ALPHA-
(2-ACETYL-5-METHYLANILINO)ACETAMIDE
A1VRU0.7
AAPALPHA-(2,6-DICHLOROPHENYL)-ALPHA-
(2-ACETYL-5-METHYLANILINO)ACETAMIDE
A1HPZ0.7
PHMPHENYLALANYLMETHANEA,I1PJP0.74
PHMPHENYLALANYLMETHANEA,B,C2J9J0.74
PHMPHENYLALANYLMETHANEA,B,C2JE40.74
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE
H1JGU0.71
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.75
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.76
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.78
BE22-AMINOBENZOIC ACIDE,I1ZFP0.78
BE22-AMINOBENZOIC ACIDA,B2HU80.78
BE22-AMINOBENZOIC ACIDA,B1AN90.78
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.78
BE22-AMINOBENZOIC ACIDA,B2YR60.78
BE22-AMINOBENZOIC ACIDA,I1E8N0.78
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.78
BE22-AMINOBENZOIC ACIDA1C0I0.78
BE22-AMINOBENZOIC ACIDA,B2JB30.78
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.78
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.71
TSNTRICHOSTATIN AA,B1T640.77
TSNTRICHOSTATIN AA,B1C3R0.77
TSNTRICHOSTATIN AA,B,C3F0R0.77
TSNTRICHOSTATIN AA,B,C3C100.77
AAA(2-ACETYL-5-METHYLANILINO)(2,6-
DIBROMOPHENYL)ACETAMIDE
A1HNI0.7
SX34-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}aniline
A,B3CJ20.74
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.71
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.71
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.73
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE
A,B1XCU0.73
PAB4-AMINOBENZOIC ACIDA1PBD0.72
PAB4-AMINOBENZOIC ACIDB2DZA0.72
PAB4-AMINOBENZOIC ACIDA1IUS0.72
PAB4-AMINOBENZOIC ACIDA1IUU0.72
PAB4-AMINOBENZOIC ACIDA1IUT0.72
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.73
GAB3-AMINOBENZOIC ACIDA,B3GSB0.73
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.73
GAB3-AMINOBENZOIC ACIDA3FHB0.73
ISNISATINA,B1OJA0.81
ISNISATINA,B2BK50.81