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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02269787

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.74
KYNKYNURENINEA,B,C,D2R2N0.76
KYNKYNURENINEA,B3E2Z0.76
KYNKYNURENINEA1XT70.76
KYNKYNURENINEA1T5M0.76
KYNKYNURENINEA1T5N0.76
KYNKYNURENINEA2VOV0.76
KYNKYNURENINEA2VOX0.76
NID4-NITRO-INDEN-1-ONEA,B1DOH0.86
3NT3-NITROTOLUENEA,B2BMR0.73
3NT3-NITROTOLUENEA,B2HMO0.73
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
ISNISATINA,B1OJA0.73
ISNISATINA,B2BK50.73
BHOBENZHYDROXAMIC ACIDA,B1GX20.7
BHOBENZHYDROXAMIC ACIDA1HSR0.7
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.7
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.7
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.7
BHOBENZHYDROXAMIC ACIDA3GCK0.7
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.7
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.74
PNZP-NITRO-BENZYLAMINEA,B2C700.74
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.76
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.73
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.73
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.73
3AB3-aminobenzamideA,B,C,D3GOY0.75
4NB4-NITROBENZOIC ACIDA,B3CHT0.73
TSNTRICHOSTATIN AA,B1T640.73
TSNTRICHOSTATIN AA,B1C3R0.73
TSNTRICHOSTATIN AA,B,C3F0R0.73
TSNTRICHOSTATIN AA,B,C3C100.73
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.75
PPNPARA-NITROPHENYLALANINEI1YTJ0.75
SN25-[BIS-2(CHLORO-ETHYL)-AMINO]-2,4-
DINTRO-BENZAMIDE
A,B1OO60.7
TNL2,4,6-TRINITROTOLUENEA1GVR0.73
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.73