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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005370

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.82
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.75
TNBS-(2,3,6-TRINITROPHENYL)CYSTEINEA,B,C,D,E,F,
G,H
1AQX0.77
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.7
2591-(methylsulfanyl)-4-nitrobenzeneX2RAZ0.75
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.75
FOE2-(2-AMINO-3-OXO-PROPYLSULFANYL)-
N-(4-FLUORO-PHENYL)-N-ISOPROPYL-
ACETAMIDE
B1BX90.73
GNR2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-
2-YL)-N-HYDROXYACETAMIDE
A,B1S170.72
ETP3-(4-BENZENESULFONYL-THIOPHENE-
2-SULFONYLAMINO)-PHENYLBORONIC ACID
A,B1GA90.73
NHP4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACIDA,B1CX90.81
CS1S-(2-ANILINYL-SULFANYL)-CYSTEINEA,B2OMA0.82
SANSULFANILAMIDEA1AJ00.76
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.7
ANLANILINEA2OV40.71
ANLANILINEA1AEE0.71
ANLANILINEA1PPA0.71
ANLANILINEA1HJ90.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.75
CBE2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-
OXATHIINE-3-CARBOXAMIDE
A,B,C,D,N,O,
P,Q
2FBW0.7
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.78
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1K2T0.72
PTU2-ETHYL-1-PHENYL-ISOTHIOUREAA,B1D1V0.72