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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01086539

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PPNPARA-NITROPHENYLALANINEI1YTJ0.71
APZ4-AMINOPHTHALHYDRAZIDEA1ENU0.73
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1XI20.72
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1ZX10.72
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1IDT0.72
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B2BZS0.72
3AB3-aminobenzamideA,B,C,D3GOY0.86
BHOBENZHYDROXAMIC ACIDA,B1GX20.78
BHOBENZHYDROXAMIC ACIDA1HSR0.78
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.78
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.78
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.78
BHOBENZHYDROXAMIC ACIDA3GCK0.78
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.78
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.75
PNZP-NITRO-BENZYLAMINEA,B2C700.75
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.74
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.73
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.72
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.72
GAB3-AMINOBENZOIC ACIDA,B3GSB0.72
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.72
GAB3-AMINOBENZOIC ACIDA3FHB0.72
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.76
NIT4-NITROANILINEC,D1RMH0.7
NIT4-NITROANILINEA,B,D,F,G,H,I2IXP0.7
NIT4-NITROANILINEB1VBS0.7
NIT4-NITROANILINEC1V9T0.7
NIT4-NITROANILINEC,D1VBT0.7
NIT4-NITROANILINEB1LOP0.7
NIT4-NITROANILINEC,D1ZKF0.7
NIT4-NITROANILINEB1PIP0.7
TNL2,4,6-TRINITROTOLUENEA1GVR0.72
TSNTRICHOSTATIN AA,B1T640.72
TSNTRICHOSTATIN AA,B1C3R0.72
TSNTRICHOSTATIN AA,B,C3F0R0.72
TSNTRICHOSTATIN AA,B,C3C100.72
SN25-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4-
DINTRO-BENZAMIDE
A,B1OO60.7
4NB4-NITROBENZOIC ACIDA,B3CHT0.72
NID4-NITRO-INDEN-1-ONEA,B1DOH0.82
3NT3-NITROTOLUENEA,B2BMR0.76
3NT3-NITROTOLUENEA,B2HMO0.76