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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00022380

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.71
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA1S6R0.72
IAP4-IODO-ACETAMIDO PHENYLBORONIC ACIDA,B1K6S0.72
T2D1,2,5-THIADIAZOLIDIN-3-ONE-1,1-
DIOXIDE
A2BGE0.7
ROK4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDEA,B,C,D,E,F,
G,H
2VT50.76
DSY5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACIDC,D1BDA0.75
LJGN,N'-(iminodiethane-2,1-diyl)bis[4-
amino-N-(2-methylpropyl)benzenesulfonamide]
B3BGB0.76
AEN5-(1-SULFONAPHTHYL)-ACETYLAMINO-
ETHYLAMINE
A1RAR0.72
AEN5-(1-SULFONAPHTHYL)-ACETYLAMINO-
ETHYLAMINE
A1RAS0.72
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B3CFN0.72
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B2ANS0.72
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1OW40.72
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA1EYN0.72
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1TXC0.72
264(phenylamino)acetonitrileA2RBN0.76
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.73
URSN-PHENYLTHIOUREAA,B1BUG0.73
MPX4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDEA1ZH90.72
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.7
1MRN-METHYLANILINEX2OTZ0.82
SANSULFANILAMIDEA1AJ00.81
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline
H1ETR0.74
AAS3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDEA1CZM0.75
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.71
AMS3-MERCURI-4-AMINOBENZENESULFONAMIDEA3CA20.8
OSPSULTHIAMEA2Q1Q0.79
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.73
1712-PHENYLAMINO-ETHANESULFONIC ACIDA,B1SXG0.89
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,J1CVW0.75
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1A4W0.75
ANS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID)H,I1FPC0.75
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.71
NYLN-ALLYL-ANILINEA1OVK0.78
PL01-phenylguanidineA2O8W0.7
TK42-ACETYLAMINO-NAPTHALENE-1,5-DISULFONIC ACIDH,L1C5C0.71
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.74
PHJN-[(AMINOOXY)CARBONYL]-N-PHENYLAMINEA,B1UR90.73