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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02484543

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
198R-BICALUTAMIDEA1Z950.71
H186-CHLORO-4-(CYCLOHEXYLSULFINYL)-
3-PROPYLQUINOLIN-2(1H)-ONE
A1TL10.7
NHP4-(2-AMINOPHENYLTHIO)-BUTYLPHOSPHONIC ACIDA,B1CX90.72
5BM(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrileA3EQH0.71
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.78
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.78
OSPSULTHIAMEA2Q1Q0.72
TK42-ACETYLAMINO-NAPTHALENE-1,5-DISULFONIC ACIDH,L1C5C0.77
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.72
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.72
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.72
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.72
BOSN-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDEA2HD60.74
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.7
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.75
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.73
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.71
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.72
SANSULFANILAMIDEA1AJ00.71
AEN5-(1-SULFONAPHTHYL)-ACETYLAMINO-
ETHYLAMINE
A1RAR0.71
AEN5-(1-SULFONAPHTHYL)-ACETYLAMINO-
ETHYLAMINE
A1RAS0.71
LJGN,N'-(iminodiethane-2,1-diyl)bis[4-
amino-N-(2-methylpropyl)benzenesulfonamide]
B3BGB0.7
ETP3-(4-BENZENESULFONYL-THIOPHENE-
2-SULFONYLAMINO)-PHENYLBORONIC ACID
A,B1GA90.71
SBN2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILEA1JLQ0.7
BSU1,3-DIPHENYLUREAA3E850.74
BSU1,3-DIPHENYLUREAA2ZJF0.74
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.73
TF2(N-{4-[(ETHYLANILINO)SULFONYL]-
2-METHYLPHENYL}-3,3,3-TRIFLUORO-
2-HYDROXY-2-METHYLPROPANAMIDE
A2BU60.7
GNR2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-
2-YL)-N-HYDROXYACETAMIDE
A,B1S170.82
FOE2-(2-AMINO-3-OXO-PROPYLSULFANYL)-
N-(4-FLUORO-PHENYL)-N-ISOPROPYL-
ACETAMIDE
B1BX90.71
CBE2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-
OXATHIINE-3-CARBOXAMIDE
A,B,C,D,N,O,
P,Q
2FBW0.78
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.75
347TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-
4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-
1-CARBOXYLATE
A,B,C,D2PJT0.71
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.72
NYLN-ALLYL-ANILINEA1OVK0.7
EOB{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-
2,1-DIYL)]}BIS(PHOSPHONIC ACID)
A,B,C,D2FZG0.7
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline
H1ETR0.7
CF39,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDEA,B,C,D2GH60.71