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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02970706

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
198R-BICALUTAMIDEA1Z950.71
TK42-ACETYLAMINO-NAPTHALENE-1,5-DISULFONIC ACIDH,L1C5C0.84
LS53-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-
2-OXO-2,3-DIHYDRO-1H-INDOLE
A1KE90.73
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.74
DSY5-(DIMETHYLAMINO)-2-NAPHTHALENESULFONIC ACIDC,D1BDA0.75
BOSN-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDEA2HD60.77
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE
A,B1XCU0.71
B75A,B2E950.72
B75A,B2E9C0.72
G0GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-
BENZYLBENZENESULFONAMIDE)
A,B2PQZ0.71
DY62-({[3-(3,4-dihydroisoquinolin-
2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid
A,B3DY60.7
3673-HYDROXYPROPYL 3-[({7-[AMINO(IMINO)METHYL]-
1-NAPHTHYL}AMINO)CARBONYL]BENZENESULFONATE
A1ZRK0.74
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.8
B22[2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)-
2-OXOETHYL]IMINO}DIACETATO(2-)-
KAPPAO]COPPER
A2FOU0.7
DNSN~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}-
L-LYSINE
H1WZ10.75
IN7[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
ACETIC ACID
A1B8Y0.75
TF2(N-{4-[(ETHYLANILINO)SULFONYL]-
2-METHYLPHENYL}-3,3,3-TRIFLUORO-
2-HYDROXY-2-METHYLPROPANAMIDE
A2BU60.77
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.7
LS1N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
A1KE50.75
BHTN-[4-(BIS{4-[(3-SULFOPHENYL)AMINO]PHENYL}METHYLENE)CYCLOHEXA-
2,5-DIEN-1-YLIDENE]-4-SULFOBENZENAMINIUM
A2ZJO0.75
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B3CFN0.81
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B2ANS0.81
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1OW40.81
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA1EYN0.81
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1TXC0.81
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.73
LJGN,N'-(iminodiethane-2,1-diyl)bis[4-
amino-N-(2-methylpropyl)benzenesulfonamide]
B3BGB0.72
DBRADAMANTANE-1-CARBOXYLIC ACID-5-
DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-
BUTYL-AMIDE
A1RF90.81
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.73
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
DSOADAMANTANE-1-CARBOXYLIC ACID-5-
DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-
OCTYL-AMIDE
A1LWL0.81
DSOADAMANTANE-1-CARBOXYLIC ACID-5-
DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-
OCTYL-AMIDE
A1RE90.81
G3GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-
AMINO-N-BENZYLBENZENESULFONAMIDE)
A,B2R430.78
G3GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-
AMINO-N-BENZYLBENZENESULFONAMIDE)
A,B2PWC0.78
G3GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-
AMINO-N-BENZYLBENZENESULFONAMIDE)
A,B2R3W0.78
C4HN-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-
3-SULFANYLPROPANAMIDE
A,B2DOO0.86
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.71
MC2N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)-
L-ARIGNINAMIDE
A1T9Y0.71
SVRA3GAN0.78
SVRA,B2NYR0.78
SVRH2H9T0.78
SVRA,B1Y4L0.78
SVRA,B,C,E,F,G,H3BJW0.78
SVRA,B1Y8E0.78
SVRH3BF60.78
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.8
LJHN,N'-(iminodiethane-2,1-diyl)bis(4-
amino-N-benzylbenzenesulfonamide)
A,B3BGC0.81
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.74
I84[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-
BENZENESULFONYL]-GLYCINE
A1EKO0.78
I84[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-
BENZENESULFONYL]-GLYCINE
A1EL30.78
AEN5-(1-SULFONAPHTHYL)-ACETYLAMINO-
ETHYLAMINE
A1RAR0.83
AEN5-(1-SULFONAPHTHYL)-ACETYLAMINO-
ETHYLAMINE
A1RAS0.83