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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00019939

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3NT3-NITROTOLUENEA,B2BMR0.74
3NT3-NITROTOLUENEA,B2HMO0.74
APZ4-AMINOPHTHALHYDRAZIDEA1ENU0.74
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.73
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.7
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.75
TSNTRICHOSTATIN AA,B1T640.81
TSNTRICHOSTATIN AA,B1C3R0.81
TSNTRICHOSTATIN AA,B,C3F0R0.81
TSNTRICHOSTATIN AA,B,C3C100.81
4PG1-[4-(2-oxo-2-phenylethyl)phenyl]guanidineU2R2W0.7
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.74
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1XI20.74
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1ZX10.74
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1IDT0.74
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B2BZS0.74
CRIA,B1VKG0.72
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.7
DPZ3,5-DIAMINOPHTHALHYDRAZIDEA1F3E0.71
4NB4-NITROBENZOIC ACIDA,B3CHT0.75
NID4-NITRO-INDEN-1-ONEA,B1DOH0.81
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.74
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.71
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.76
PNZP-NITRO-BENZYLAMINEA,B2C700.76
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.71
3AB3-aminobenzamideA,B,C,D3GOY0.82
PAB4-AMINOBENZOIC ACIDA1PBD0.7
PAB4-AMINOBENZOIC ACIDB2DZA0.7
PAB4-AMINOBENZOIC ACIDA1IUS0.7
PAB4-AMINOBENZOIC ACIDA1IUU0.7
PAB4-AMINOBENZOIC ACIDA1IUT0.7
PPNPARA-NITROPHENYLALANINEI1YTJ0.73
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
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE
A2PAX0.74
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3F060.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZP0.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A3EW80.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZT0.73
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A1T670.73
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.73
SN25-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4-
DINTRO-BENZAMIDE
A,B1OO60.72
RA4N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE
H,I1YPM0.73
TNL2,4,6-TRINITROTOLUENEA1GVR0.74