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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01086328

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CRIA,B1VKG0.75
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.77
34A3,4-DIMETHYLANILINEA1L4K0.73
RA4N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE
H,I1YPM0.71
DPZ3,5-DIAMINOPHTHALHYDRAZIDEA1F3E0.73
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1XI20.73
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1ZX10.73
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1IDT0.73
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B2BZS0.73
C164-(4-methyl-1,3-dioxo-1,3-dihydro-
2H-isoindol-2-yl)benzonitrile
A3BNZ0.71
SN25-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4-
DINTRO-BENZAMIDE
A,B1OO60.71
ISOPARA-ISOPROPYLANILINEA1BMA0.7
ISOPARA-ISOPROPYLANILINEA,B1ELC0.7
ISOPARA-ISOPROPYLANILINEA,B1ELB0.7
ISOPARA-ISOPROPYLANILINEA,B1ELA0.7
ISNISATINA,B1OJA0.7
ISNISATINA,B2BK50.7
3AB3-aminobenzamideA,B,C,D3GOY0.85
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.7
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.74
APZ4-AMINOPHTHALHYDRAZIDEA1ENU0.78
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.7
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3F060.7
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZP0.7
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A3EW80.7
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZT0.7
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A1T670.7
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.7
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.75
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
A,B2HZ00.7
NID4-NITRO-INDEN-1-ONEA,B1DOH0.87
12BBENZO[CD]INDOL-2(1H)-ONEA,B2F670.71
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.71
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.7
GAB3-AMINOBENZOIC ACIDA,B3GSB0.7
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.7
GAB3-AMINOBENZOIC ACIDA3FHB0.7
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.76
PNZP-NITRO-BENZYLAMINEA,B2C700.76
TNL2,4,6-TRINITROTOLUENEA1GVR0.72
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.71
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.71
PPNPARA-NITROPHENYLALANINEI1YTJ0.75
IBRA9EST0.73
BHOBENZHYDROXAMIC ACIDA,B1GX20.76
BHOBENZHYDROXAMIC ACIDA1HSR0.76
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.76
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.76
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.76
BHOBENZHYDROXAMIC ACIDA3GCK0.76
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.76
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.73
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.71
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.71
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.71
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.71
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.73
4NB4-NITROBENZOIC ACIDA,B3CHT0.72
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE
A2PAX0.73
TSNTRICHOSTATIN AA,B1T640.78
TSNTRICHOSTATIN AA,B1C3R0.78
TSNTRICHOSTATIN AA,B,C3F0R0.78
TSNTRICHOSTATIN AA,B,C3C100.78
3NT3-NITROTOLUENEA,B2BMR0.76
3NT3-NITROTOLUENEA,B2HMO0.76