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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01440562

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.71
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide		A3D7Z0.72
IOA4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9N0.84
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM		H,L,X,Y1UWG0.7
STB4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDEA1OKN0.84
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G480.84
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G530.84
TP34-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-
SULFONYL-D-PROLINE		A,B1F4F0.74
B22[2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)-
2-OXOETHYL]IMINO}DIACETATO(2-)-
KAPPAO]COPPER		A2FOU0.74
IOF4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9Q0.84
23Ubeta-phenyl-D-phenylalanyl-N-(3-
chlorobenzyl)-L-prolinamide		H,I3DHK0.72
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE		A,B2BUB0.72
KLT2-chloro-5-[(1S)-1-hydroxy-3-oxo-
2H-isoindol-1-yl]benzenesulfonamide		A3F4X0.74
BOSN-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDEA2HD60.73
TP4N-[4-[[GLUTAMIC ACID]-CARBONYL]-
BENZENE-SULFONYL-D-PROLINYL]-3-
AMINO-PROPANOIC ACID		A,B1F4G0.73
EG1AMINOMETHYLENECARBONYLAMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDEA1CNW0.78
P214-chloro-N-(3-methoxypropyl)-N-
[(3S)-1-(2-phenylethyl)piperidin-
3-yl]benzamide		A2VD40.76
F20N-BENZOYL-L-PHENYLALANYL-4-[(5S)-
1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-
5-YL]-L-PHENYLALANINAMIDE		A2CMA0.77
F17N-{[4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-
5-YL)PHENYL]ACETYL}-L-PHENYLALANYL-
4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL-
5-YL)-L-PHENYLALANINAMIDE		A2CMB0.71
EG3PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDEA1CNY0.81
EG2AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDEA1CNX0.81
R15N,N'-(heptane-1,7-diyldicarbamoyl)bis(3-
chlorobenzenesulfonamide)		A,D2JJK0.72
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.77
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.87
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID		A2F700.7
2LG2-CHLORO-N-(3-CYANO-5,6-DIHYDRO-
4H-CYCLOPENTA[B]THIOPHEN-2-YL)-
5-DIETHYLSULFAMOYL-BENZAMIDE		A2AM20.7
IOE4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9P0.84
AQSN,N-BIS(3-AMINOPROPYL)-2-ANTHRAQUINONESULFONAMIDEA386D0.74
YDP(3S,4S),-3,4-Bis-[(4-carbamoyl-
benzensulfonyl)-(3-methyl-but-2-
enyl)-amino]-pyrrolidine		A2ZGA0.8
YDP(3S,4S),-3,4-Bis-[(4-carbamoyl-
benzensulfonyl)-(3-methyl-but-2-
enyl)-amino]-pyrrolidine		A,B3CKT0.8
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.73
B17{1-[4-(AMINOSULFONYL)PHENYL]-11-
[(CARBOXY-KAPPAO)METHYL]-1-OXO-
5,8-DIOXA-2,11-DIAZATRIDECAN-13-
OATO(2-)-KAPPAO~13~}COPPER		A2FOS0.76
IOC4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9O0.84
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide		H,I2ZC90.75
1761-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-
PYRROLIDINE-3-CARBOXYLIC ACID 2,5-
DICHLORO-BENZYLAMIDE		A,B1TA20.71
B15[2,2'-({4-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]BENZYL}IMINO)DIACETATO(2-
)-KAPPAO]COPPER		A2FOQ0.83
4MDN-(4-chlorobenzyl)-N-methylbenzene-
1,4-disulfonamide		A,B3DA20.76
AZX4-[(3-CHLORO-4-{[(2R)-3,3,3-TRIFLUORO-
2-HYDROXY-2-METHYLPROPANOYL]AMINO}PHENYL)SULFONYL]-
N,N-DIMETHYLBENZAMIDE		A2Q8G0.73
64U3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-
L-prolinamide		H,I3DUX0.74
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G460.84
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G520.84
BL14-chloro-N-[(2S)-2-methyl-2,3-dihydro-
1H-indol-1-yl]-3-sulfamoylbenzamide		A3BL10.75
QN3N,N'-(3S,4S)-pyrrolidine-3,4-diylbis(N-
benzyl-2-chlorobenzenesulfonamide)		A,B2QNQ0.73
INV4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9L0.85
NFTN-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-
(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-
TRIFLUOROETHYL}-L-LEUCINAMIDE		A1VSN0.74
B30{2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-
)-KAPPAO}COPPER		A2FOV0.78
B30{2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-
)-KAPPAO}COPPER		A,B2FOY0.78
INW4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9M0.84
KR2(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-
1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-
2-AMINE		A,B2OLE0.71
ME15-CHLORO-N-(2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-
2-CARBOXAMIDE		A2P930.71
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide		H,I2ZFP0.7
IZDISOTHIAZOLIDINONE ANALOGA2CM70.71
TMJN-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE		A,B2ONY0.7
TMJN-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE		A,B2ONZ0.7
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.71
3CCN-[(2R)-5-(aminosulfonyl)-2,3-dihydro-
1H-inden-2-yl]-2-propylpentanamide		A2QO80.72
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.73
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE		A2STD0.71
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE		A,B,C7STD0.71
G4G4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDEB2R380.78
G4G4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDEA,B2PWR0.78
G4G4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDEB2R3T0.78
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE		A1G4J0.84
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE		A1G540.84
LS53-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-
2-OXO-2,3-DIHYDRO-1H-INDOLE		A1KE90.71
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE		A,B2OGZ0.71
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G450.85
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G1D0.85
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.74
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.74
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.78
QN14,4'-[(3S,4S)-pyrrolidine-3,4-diylbis({[4-
(trifluoromethyl)benzyl]imino}sulfonyl)]dibenzamide		A,B2QNN0.75
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.86
GSJ1-PYRROLIDINEACETAMIDE, 3-[[(6-
CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-
ALPHA-METHYL-N-(1-METHYLETHYL)-
N-[2-[(METHYLSULFONYL)AMINO]ETHYL]-
2-OXO-, (ALPHAS,3S)-		A2J4I0.74
LS1N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE		A1KE50.72