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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02083264

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.78
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.74
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.74
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.74
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.74
MNQM-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0X0.77
ONPO-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Y0.74
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.71
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA,B1EK10.7
CIUN-CYCLOHEXYL-N'-(4-IODOPHENYL)UREAA1VJ50.7
NP2N-(3-AMINOPROPYL)-2-NITROBENZENAMINEA1WUM0.84
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid
A,B2WKW0.71
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.74
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.74
01W(2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoateA,B3DS90.81
DAEO,P-DINITROPHENYL AMINOETHYLDIPHOSPHATE-
BERYLLIUM TRIFLUORIDE
A1D1A0.76
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2CL70.73
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2CL60.73
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2CE20.73
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2EVW0.73
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2CL00.73
XY2N,N'-DIMETHYL-N-(ACETYL)-N'-(7-
NITROBENZ-2-OXA-1,3-DIAZOL-4-YL)ETHYLENEDIAMINE
X2CLC0.73
MLN(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-
P-NITROANILIDE
A1BSK0.77
MLN(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-
P-NITROANILIDE
A1BSJ0.77
HFTHYDROXYFLUTAMIDEA2AX60.73
NYLN-ALLYL-ANILINEA1OVK0.73
NINDINITROPHENYLENEA1RSM0.71
NINDINITROPHENYLENEA1GVY0.71
NINDINITROPHENYLENEA1GW10.71
NMQN-METHYL O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D1C0.7
NPPN-(2-AMINO-ETHYL)-4,6-DINITRO-N'-
(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-
4-YL)-BENZENE-1,3-DIAMINE
L1BAF0.77
566(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE-
3-CARBOXAMIDE
A2H7I0.74
264(phenylamino)acetonitrileA2RBN0.73
SG13-NITRO-4-(2-OXO-PYRROLIDIN-1-YL)-
BENZENESULFONAMIDE
A1KWQ0.72
PNQP-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D0Z0.74
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.75
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.8
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.76
RA4N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE
H,I1YPM0.7
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.8
BL5A,B1RL40.75
DAQO,P-DINITROPHENYL AMINOPROPYLDIPHOSPHATE BERYLLIUM TRIFLUORIDEA1D1B0.76
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.72
1MRN-METHYLANILINEX2OTZ0.71
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B1RXH0.71
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B1I9H0.71
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B2FHL0.71
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B1RXK0.71
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B2OFB0.71
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B1IJ80.71
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B2OF80.71
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B,C,D1RXJ0.71
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
X,Y2FHN0.71