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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02649001

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4NB4-NITROBENZOIC ACIDA,B3CHT0.8
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.71
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.74
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.7
3NT3-NITROTOLUENEA,B2BMR0.73
3NT3-NITROTOLUENEA,B2HMO0.73
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.71
GAB3-AMINOBENZOIC ACIDA,B3GSB0.71
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.71
GAB3-AMINOBENZOIC ACIDA3FHB0.71
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.87
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.71
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.71
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.71
2UN{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-
3-OXOPROPYL]PHENYL}SULFAMIC ACID
A,B2H020.75
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.73
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.73
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.73
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.73
NID4-NITRO-INDEN-1-ONEA,B1DOH0.74
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.73
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.76
AAHH1KEL0.73
AAHB,H1FL60.73
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.7
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.92
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.7
IBRA9EST0.73
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.8