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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02178509

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
53N3-[5-(3-nitrophenyl)thiophen-2-
yl]propanoic acid
A3DN50.7
TNSA,B,L2G2R0.71
NPB3-NITROPHENYLBORONIC ACIDA,B1KDS0.74
NINDINITROPHENYLENEA1RSM0.7
NINDINITROPHENYLENEA1GVY0.7
NINDINITROPHENYLENEA1GW10.7
HFTHYDROXYFLUTAMIDEA2AX60.7
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.7
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.71
GAB3-AMINOBENZOIC ACIDA,B3GSB0.71
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.71
GAB3-AMINOBENZOIC ACIDA3FHB0.71
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.73
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1F420.74
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA1RXE0.74
MNB5-MERCAPTO-2-NITRO-BENZOIC ACIDA2PER0.74
NID4-NITRO-INDEN-1-ONEA,B1DOH0.75
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.75
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.75
PNZP-NITRO-BENZYLAMINEA,B2C700.75
NTD2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-
1,3-DIONE
A,B1T470.76
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.77
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.76
NCR2-NITRO-P-CRESOLA,B1AHV0.7
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.7
BE22-AMINOBENZOIC ACIDE,I1ZFP0.7
BE22-AMINOBENZOIC ACIDA,B2HU80.7
BE22-AMINOBENZOIC ACIDA,B1AN90.7
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.7
BE22-AMINOBENZOIC ACIDA,B2YR60.7
BE22-AMINOBENZOIC ACIDA,I1E8N0.7
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.7
BE22-AMINOBENZOIC ACIDA1C0I0.7
BE22-AMINOBENZOIC ACIDA,B2JB30.7
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.7
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.71
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.71
TNL2,4,6-TRINITROTOLUENEA1GVR0.75
PPNPARA-NITROPHENYLALANINEI1YTJ0.75
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.71
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.71
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.71
4NB4-NITROBENZOIC ACIDA,B3CHT0.78
NBZNITROBENZENEA,B2BMQ0.72
NBZNITROBENZENEA,B3BGU0.72
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.71
XYD2,5-DIMETHYLANILINEA1L4L0.71
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.78
23F(2Z)-2-AMINO-3-PHENYLACRYLIC ACIDA1VRZ0.73
3NT3-NITROTOLUENEA,B2BMR0.79
3NT3-NITROTOLUENEA,B2HMO0.79
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.75
AAHH1KEL0.72
AAHB,H1FL60.72