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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02178131

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.72
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.72
KYNKYNURENINEA,B,C,D2R2N0.71
KYNKYNURENINEA,B3E2Z0.71
KYNKYNURENINEA1XT70.71
KYNKYNURENINEA1T5M0.71
KYNKYNURENINEA1T5N0.71
KYNKYNURENINEA2VOV0.71
KYNKYNURENINEA2VOX0.71
GW92-chloro-5-nitro-N-phenylbenzamideA,D3E000.7
3NT3-NITROTOLUENEA,B2BMR0.75
3NT3-NITROTOLUENEA,B2HMO0.75
CRIA,B1VKG0.7
ISNISATINA,B1OJA0.72
ISNISATINA,B2BK50.72
PPNPARA-NITROPHENYLALANINEI1YTJ0.7
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.71
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.75
NID4-NITRO-INDEN-1-ONEA,B1DOH0.88
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1XI20.71
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1ZX10.71
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B1IDT0.71
CB15-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDEA,B2BZS0.71
TSNTRICHOSTATIN AA,B1T640.73
TSNTRICHOSTATIN AA,B1C3R0.73
TSNTRICHOSTATIN AA,B,C3F0R0.73
TSNTRICHOSTATIN AA,B,C3C100.73
TNL2,4,6-TRINITROTOLUENEA1GVR0.72
3AB3-aminobenzamideA,B,C,D3GOY0.76
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.75
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.74
4NB4-NITROBENZOIC ACIDA,B3CHT0.72