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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00019866

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CBE2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-
OXATHIINE-3-CARBOXAMIDE
A,B,C,D,N,O,
P,Q
2FBW0.79
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.7
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.78
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.78
1MRN-METHYLANILINEX2OTZ0.75
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.71
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.71
BSU1,3-DIPHENYLUREAA3E850.71
BSU1,3-DIPHENYLUREAA2ZJF0.71
NYLN-ALLYL-ANILINEA1OVK0.75
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.71
264(phenylamino)acetonitrileA2RBN0.73
A51(3E)-3-[(phenylamino)methylidene]dihydrofuran-
2(3H)-one
A2QFO0.83
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.78
OCHQUINOLIN-2(1H)-ONEA,B,C,D,E,F1Z030.7
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.7
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.71
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.71
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.71
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.71
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.7
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.73
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.71