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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00006074

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.72
DPZ3,5-DIAMINOPHTHALHYDRAZIDEA1F3E0.7
4AN6-AMINO-BENZO[DE]ISOQUINOLINE-1,3-
DIONE
A2PAX0.71
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.71
GAB3-AMINOBENZOIC ACIDA,B3GSB0.71
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.71
GAB3-AMINOBENZOIC ACIDA3FHB0.71
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.77
3NT3-NITROTOLUENEA,B2BMR0.77
3NT3-NITROTOLUENEA,B2HMO0.77
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.72
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.75
TSNTRICHOSTATIN AA,B1T640.79
TSNTRICHOSTATIN AA,B1C3R0.79
TSNTRICHOSTATIN AA,B,C3F0R0.79
TSNTRICHOSTATIN AA,B,C3C100.79
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.76
3AB3-aminobenzamideA,B,C,D3GOY0.85
NBZNITROBENZENEA,B2BMQ0.71
NBZNITROBENZENEA,B3BGU0.71
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
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.73
4NB4-NITROBENZOIC ACIDA,B3CHT0.79
BHOBENZHYDROXAMIC ACIDA,B1GX20.8
BHOBENZHYDROXAMIC ACIDA1HSR0.8
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.8
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.8
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.8
BHOBENZHYDROXAMIC ACIDA3GCK0.8
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.8
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.79
PNZP-NITRO-BENZYLAMINEA,B2C700.79
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3F060.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZP0.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A3EW80.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZT0.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A1T670.72
PAB4-AMINOBENZOIC ACIDA1PBD0.74
PAB4-AMINOBENZOIC ACIDB2DZA0.74
PAB4-AMINOBENZOIC ACIDA1IUS0.74
PAB4-AMINOBENZOIC ACIDA1IUU0.74
PAB4-AMINOBENZOIC ACIDA1IUT0.74
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.71
TNL2,4,6-TRINITROTOLUENEA1GVR0.75
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
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.7
APZ4-AMINOPHTHALHYDRAZIDEA1ENU0.76
NIT4-NITROANILINEC,D1RMH0.73
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.73
NIT4-NITROANILINEB1VBS0.73
NIT4-NITROANILINEC1V9T0.73
NIT4-NITROANILINEC,D1VBT0.73
NIT4-NITROANILINEB1LOP0.73
NIT4-NITROANILINEC,D1ZKF0.73
NIT4-NITROANILINEB1PIP0.73
PPNPARA-NITROPHENYLALANINEI1YTJ0.74
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.75
NID4-NITRO-INDEN-1-ONEA,B1DOH0.82