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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01471652

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B30{2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-
)-KAPPAO}COPPER		A2FOV0.79
B30{2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-
)-KAPPAO}COPPER		A,B2FOY0.79
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM		H,L,X,Y1UWG0.78
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE		A,B2BUB0.7
VG3N-[(1S,2R)-1-benzyl-3-{[(1S)-2-
(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-
2-hydroxypropyl]-3-(pentylsulfonyl)benzamide		A2VIY0.79
MYP4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-
(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-
2-PHENYLETHYL]-AMIDE		A,B1M6D0.8
EG1AMINOMETHYLENECARBONYLAMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDEA1CNW0.85
ICXmethyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-
5-enoyl]glycinate		A,C,D,E,G,P,
Q,R,W		3CWB0.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.72
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.8
SUB3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)-
THIOMORPHOLINE-3-CARBONYL]-AMINO}-
PROPIONIC ACID ETHYL ESTER		A1J4H0.78
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE		A1G4J0.76
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE		A1G540.76
IOE4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9P0.77
VS13-[[N-[MORPHOLIN-N-YL]-CARBONYL]-
PHENYLALANINYL-AMINO]-5- PHENYL-
PENTANE-1-SULFONYLBENZENE		A2P860.78
VS13-[[N-[MORPHOLIN-N-YL]-CARBONYL]-
PHENYLALANINYL-AMINO]-5- PHENYL-
PENTANE-1-SULFONYLBENZENE		A,B,C1F290.78
F20N-BENZOYL-L-PHENYLALANYL-4-[(5S)-
1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-
5-YL]-L-PHENYLALANINAMIDE		A2CMA0.73
QN14,4'-[(3S,4S)-pyrrolidine-3,4-diylbis({[4-
(trifluoromethyl)benzyl]imino}sulfonyl)]dibenzamide		A,B2QNN0.71
C4PN-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]-
N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE		A1NQC0.74
IOC4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9O0.77
MQQN-[(1S)-1-[({(1S)-3-PHENYL-1-[2-
(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)CARBONYL]-
3-(PHENYLSULFONYL)PROPYL]MORPHOLINE-
4-CARBOXAMIDE		A2G6D0.75
C1PN~2~-(MORPHOLIN-4-YLCARBONYL)-N~1~-
[(1S,2E)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)PROP-
2-ENYL]-D-LEUCINAMIDE		A,B,C,D3BWK0.8
C1PN~2~-(MORPHOLIN-4-YLCARBONYL)-N~1~-
[(1S,2E)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)PROP-
2-ENYL]-D-LEUCINAMIDE		A,B1NPZ0.8
TP4N-[4-[[GLUTAMIC ACID]-CARBONYL]-
BENZENE-SULFONYL-D-PROLINYL]-3-
AMINO-PROPANOIC ACID		A,B1F4G0.73
P214-chloro-N-(3-methoxypropyl)-N-
[(3S)-1-(2-phenylethyl)piperidin-
3-yl]benzamide		A2VD40.71
TINA,B1N940.71
IOA4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9N0.77
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G480.77
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G530.77
315(2S,3S)-4-cyclopropyl-3-{(3R,5R)-
3-[2-fluoro-4-(methylsulfonyl)phenyl]-
1,2,4-oxadiazolidin-5-yl}-1-[(3S)-
3-fluoropyrrolidin-1-yl]-1-oxobutan-
2-amine		A,B3C430.71
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.79
TP34-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-
SULFONYL-D-PROLINE		A,B1F4F0.72
B15[2,2'-({4-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]BENZYL}IMINO)DIACETATO(2-
)-KAPPAO]COPPER		A2FOQ0.78
B22[2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)-
2-OXOETHYL]IMINO}DIACETATO(2-)-
KAPPAO]COPPER		A2FOU0.72
B17{1-[4-(AMINOSULFONYL)PHENYL]-11-
[(CARBOXY-KAPPAO)METHYL]-1-OXO-
5,8-DIOXA-2,11-DIAZATRIDECAN-13-
OATO(2-)-KAPPAO~13~}COPPER		A2FOS0.81
BCQN-[(1R)-1-[({[(5S)-3,5-DIMETHYL-
2,5-DIHYDROISOXAZOL-4-YL]METHYL}SULFONYL)METHYL]-
2-OXO-2-({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)ETHYL]MORPHOLINE-
4-CARBOXAMIDE		A2FYE0.7
IOF4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9Q0.77
I52N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-
PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-
SULFAMOYL]-4-PENTYL-BENZAMIDE		A1HOV0.75
EG2AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDEA1CNX0.85
YDP(3S,4S),-3,4-Bis-[(4-carbamoyl-
benzensulfonyl)-(3-methyl-but-2-
enyl)-amino]-pyrrolidine		A2ZGA0.77
YDP(3S,4S),-3,4-Bis-[(4-carbamoyl-
benzensulfonyl)-(3-methyl-but-2-
enyl)-amino]-pyrrolidine		A,B3CKT0.77
EG3PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDEA1CNY0.85
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.75
PG1PENICILLIN G ACYL-SERINEA,B1XA70.71
PG1PENICILLIN G ACYL-SERINEA2IWC0.71
PG1PENICILLIN G ACYL-SERINEA,B1MWT0.71
TST4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-
THIOMORPHOLINE-3-CARBONYL]-AMINO}-
PENTANOIC ACID		A1J4I0.73
C90N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-
4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide		A2JT20.74
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G450.77
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G1D0.77
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.7
4MC(Z)-N-(5-GUANIDINO-1-OXO-1-(5-PHENYL-
1-(PHENYLSULFONYL)PENT-1-EN-3-YLAMINO)PENTAN-
2-YL)-4-METHYLPIPERAZINE-1-CARBOXAMIDE		A,C2EFM0.71
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G460.77
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE		A1G520.77
STB4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDEA1OKN0.79
G23(2R,4S)-2-[(R)-BENZYLCARBAMOYL-
PHENYLACETYL-METHYL]-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID		A1HTE0.7
D1RNALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-
N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-
L-PHENYLALANINAMIDE		A2P7U0.73
D1RNALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-
N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-
L-PHENYLALANINAMIDE		A,C2OZ20.73
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.72
ANHMETHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-
3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE		T1V2P0.71
ANHMETHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-
3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE		T1V2O0.71
ANHMETHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-
3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE		T1V2Q0.71
ANHMETHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-
3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE		T1V2R0.71
ANHMETHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-
3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE		T1V2W0.71
ANHMETHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL-
3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE		T1V2T0.71
NFTN-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-
(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-
TRIFLUOROETHYL}-L-LEUCINAMIDE		A1VSN0.7
INW4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9M0.77
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.7
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.7
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.7
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.7
SEI1-{3-METHYL-2-[4-(MORPHOLINE-4-
CARBONYL)-BENZOYLAMINO]-BUTYRYL}-
PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-
PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-
AMIDE		A1B0F0.76
SEI1-{3-METHYL-2-[4-(MORPHOLINE-4-
CARBONYL)-BENZOYLAMINO]-BUTYRYL}-
PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-
PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-
AMIDE		A1B0E0.76
G4G4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDEB2R380.73
G4G4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDEA,B2PWR0.73
G4G4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDEB2R3T0.73
MUWN-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]-
6-HYDROXYHEXYL}-NALPHA-(METHOXYCARBONYL)-
BETA-PHENYL-L-PHENYLALANINAMIDE		A,B2Q3K0.71
C28N-[1-(AMINOMETHYL)CYCLOPROPYL]-
3-(MORPHOLIN-4-YLSULFONYL)-N~2~-
[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-
L-ALANINAMIDE		A,B2FT20.74
INV4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-
BENZAMIDE		A1I9L0.77