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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00971161

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FD4N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-
AMIDINO-L-PHENYLALANINYL)-4-ACETYL-
PIPERAZINE
A1K1M0.74
DY62-({[3-(3,4-dihydroisoquinolin-
2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid
A,B3DY60.75
MITARGATROBANH1DWC0.78
H1NN-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-
1-YLMETHYL)PHENYL]IMINO}METHYL)-
2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE
A,B2BFY0.73
D1RNALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-
N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-
L-PHENYLALANINAMIDE
A2P7U0.71
D1RNALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-
N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-
L-PHENYLALANINAMIDE
A,C2OZ20.71
DNSN~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}-
L-LYSINE
H1WZ10.77
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE
A,B1AGW0.75
RYU(2E,3S)-3-HYDROXY-5'-[(4-HYDROXYPIPERIDIN-
1-YL)SULFONYL]-3-METHYL-1,3-DIHYDRO-
2,3'-BIINDOL-2'(1'H)-ONE
A2BHH0.71
LJHN,N'-(iminodiethane-2,1-diyl)bis(4-
amino-N-benzylbenzenesulfonamide)
A,B3BGC0.74
MNS5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDEA1OKL0.72
LJGN,N'-(iminodiethane-2,1-diyl)bis[4-
amino-N-(2-methylpropyl)benzenesulfonamide]
B3BGB0.71
I84[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-
BENZENESULFONYL]-GLYCINE
A1EKO0.8
I84[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-
BENZENESULFONYL]-GLYCINE
A1EL30.8
SMK(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-
7-(2-aminoethyl)-N-(diphenylmethyl)-
5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-
3-carboxamide
A,B3EYL0.71
UN5{3(S)-METHYLCARBAMOYL-2-[3-(3-SULFOAMINO-
PHENYL)-PROPIONYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLIN-7-YL}-SULFAMIC ACID
A2F6Z0.81
BOSN-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDEA2HD60.77
LIUN-[(4-{[1,1-dimethyl-2-(phenylthio)ethyl]amino}-
3-nitrophenyl)sulfonyl]-4-(4,4-
dimethylpiperidin-1-yl)benzamide
A2O220.73
MC2N2-(L-PHENYLALANYL)-N1-(NAPHTHALENYL)-
L-ARIGNINAMIDE
A1T9Y0.73
ENT3(R)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-
BUTYL ESTER
A2F6Y0.76
SL1N-((1S)-4-{[AMINO(IMINO)METHYL]AMINO}-
1-FORMYLBUTYL)-2-{(3R)-3-[(BENZYLSULFONYL)AMINO]-
2-OXO-5-PHENYL-2,3-DIHYDRO-1H-1,4-
BENZODIAZEPIN-1-YL}ACETAMIDE
U1W120.73
N3BN-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-
3-NITRO-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE
A1YSI0.7
LS53-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-
2-OXO-2,3-DIHYDRO-1H-INDOLE
A1KE90.78
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.73
PMZ1-[10-(3-DIMETHYLAMINO-PROPYL)-
10H-PHENOTHIAZIN-2-YL]-ETHANONE
A1LVJ0.71
A00N-[(5S)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}-
6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)-
beta-phenyl-L-phenylalaninamide
A,B2QMP0.75
347TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-
4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-
1-CARBOXYLATE
A,B,C,D2PJT0.7
FRQ5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-
1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-
DIONE
A,B1UK10.72
FXI1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-
N-[3-fluoro-2'-(methylsulfonyl)biphenyl-
4-yl]cyclopropanecarboxamide
A2Q1J0.7
BL14-chloro-N-[(2S)-2-methyl-2,3-dihydro-
1H-indol-1-yl]-3-sulfamoylbenzamide
A3BL10.71
LS1N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
A1KE50.81
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.71
X23(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-
7-(aminomethyl)-N-(diphenylmethyl)-
5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-
3-carboxamide
A,B,C,D,E,F,
G,H,I,J
3CM20.7
4CP2-[2-(4-CHLORO-PHENYLSULFANYL)-
ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-
PROPIONAMIDE
H,I2BVR0.7
UKP[2,4,6-TRIISOPROPYL-PHENYLSULFONYL-
L-[3-AMIDINO-PHENYLALANINYL]]-N'-
BETA-ALANINYL-PIPERAZINE
A1F920.72
C4HN-[4-({[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}AMINO)BUTYL]-
3-SULFANYLPROPANAMIDE
A,B2DOO0.81
FD3N-ALPHA-(2-NAPHTHYLSULFONYL)-3-
AMIDINO-L-PHENYLALANINE PIPERAZIDE
A1K1L0.73
LIW4-[4-(BIPHENYL-2-YLMETHYL)PIPERAZIN-
1-YL]-N-[(4-{[1,1-DIMETHYL-2-(PHENYLTHIO)ETHYL]AMINO}-
3-NITROPHENYL)SULFONYL]BENZAMIDE
A2O2N0.72
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.71
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.75
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G450.7
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G1D0.7
G3GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-
AMINO-N-BENZYLBENZENESULFONAMIDE)
A,B2R430.73
G3GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-
AMINO-N-BENZYLBENZENESULFONAMIDE)
A,B2PWC0.73
G3GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-
AMINO-N-BENZYLBENZENESULFONAMIDE)
A,B2R3W0.73
TF2(N-{4-[(ETHYLANILINO)SULFONYL]-
2-METHYLPHENYL}-3,3,3-TRIFLUORO-
2-HYDROXY-2-METHYLPROPANAMIDE
A2BU60.77
575(4Z)-6-bromo-4-({[4-(pyrrolidin-
1-ylmethyl)phenyl]amino}methylidene)isoquinoline-
1,3(2H,4H)-dione
A,B,C,D2ZM30.7
008(S)-2-[(R)-3-AMINO-4-(2-FLUORO-
PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE
A,B,C,D2BUC0.72
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
A,B2HZ00.7
TMJN-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE
A,B2ONY0.72
TMJN-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-
7-SULFONAMIDE
A,B2ONZ0.72
EG3PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDEA1CNY0.73
DBRADAMANTANE-1-CARBOXYLIC ACID-5-
DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-
BUTYL-AMIDE
A1RF90.79
NFTN-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-
(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-
TRIFLUOROETHYL}-L-LEUCINAMIDE
A1VSN0.74
FRPN1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-
5-METHYL-6-OXO-1-PHENYLHEXAN-2-
YL)-N3,N3-DIPROPYLISOPHTHALAMIDE
A,B,C2FDP0.74
BL5A,B1RL40.7
SG21-METHYL-3-OXO-1,3-DIHYDRO-BENZO[C]ISOTHIAZOLE-
5-SULFONIC ACID AMIDE
A1KWR0.71
YDP(3S,4S),-3,4-Bis-[(4-carbamoyl-
benzensulfonyl)-(3-methyl-but-2-
enyl)-amino]-pyrrolidine
A2ZGA0.72
YDP(3S,4S),-3,4-Bis-[(4-carbamoyl-
benzensulfonyl)-(3-methyl-but-2-
enyl)-amino]-pyrrolidine
A,B3CKT0.72
23IN-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-
5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-
2-METHYLPROPYL}AMINO)-4-METHYL-
5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-
N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE
A,B,C,D2P4J0.72
PYQPYROQUILONA1JA90.71
PYQPYROQUILONA,B,C,D1G0O0.71
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.71
INRA,C1E9H0.72
INRA1UZU0.72
INRA,B1V0O0.72
SM1N-(BENZYLSULFONYL)-D-SERYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BENZYL)-
L-ALANINAMIDE
U1W130.71
IZDISOTHIAZOLIDINONE ANALOGA2CM70.71
3CZ(2R)-1-[(4-tert-butylphenyl)sulfonyl]-
2-methyl-4-(4-nitrophenyl)piperazine
A,B3CZR0.73
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A1SLN0.72
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A2SRT0.72
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A3BG80.72
AEN5-(1-SULFONAPHTHYL)-ACETYLAMINO-
ETHYLAMINE
A1RAR0.79
AEN5-(1-SULFONAPHTHYL)-ACETYLAMINO-
ETHYLAMINE
A1RAS0.79
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE
A,B1XCU0.7
G4G4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDEB2R380.7
G4G4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDEA,B2PWR0.7
G4G4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDEB2R3T0.7
34T(3R)-8-(dioxidosulfanyl)-3-methyl-
1,2,3,4-tetrahydroquinoline
H1ETR0.75
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.72
INV4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9L0.7
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
BC13-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-
9-YL)CARBONYL]AMINO}PROPANOIC ACID
H,Y1LO00.75
MIDN==ALPHA==(2-NAPHTHYL-SULFONYL-
GLYCYL)-PARA-AMIDINOPHENYL-ALANYL-
PIPERIDINE
H1DWD0.73
IN7[4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]-
ACETIC ACID
A1B8Y0.78
CRIA,B1VKG0.71
730(S)-3-(3-(4-(2-GUANIDINOETHYL)PIPERIDIN-
1-YL)-2-(NAPHTHALENE-2-SULFONAMIDO)-
3-OXOPROPYL)BENZIMIDAMIDE
A2GV60.7
SN81,6-DIMETHYL-4-(4-(4-(1-METHYLPYRIDINIUM-
4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM
A,B1ZPH0.75
MIUN-{(1S)-1-{[4-(3-AMINOPROPYL)PIPERAZIN-
1-YL]CARBONYL}-4-[(DIAMINOMETHYLENE)AMINO]BUTYL}-
3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE
H1W7G0.7
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B3GEY0.81
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A3CE00.81
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B1XK90.81
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A2Q6M0.81
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B,C,D,E,F1ZM90.81
NR2N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-
4-METHYLBENZENESULFONAMIDE
A1ZFK0.73
UN73-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)-
3-OXO-PROPYL]-BENZOIC ACID
A2F710.71
B15[2,2'-({4-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]BENZYL}IMINO)DIACETATO(2-
)-KAPPAO]COPPER
A2FOQ0.71
IXSN-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)-
1-methyl-2-oxoethyl]amino}ethyl]-
N'-[(1R)-1-(4-fluorophenyl)ethyl]-
5-[methyl(methylsulfonyl)amino]isophthalamide
A2QZL0.77
SK2(3R)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER
A2F6V0.72
TK42-ACETYLAMINO-NAPTHALENE-1,5-DISULFONIC ACIDH,L1C5C0.71
F20N-BENZOYL-L-PHENYLALANYL-4-[(5S)-
1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-
5-YL]-L-PHENYLALANINAMIDE
A2CMA0.71
I52N-{4-[(1-HYDROXYCARBAMOYL-2-METHYL-
PROPYL)-(2-MORPHOLIN-4-YL-ETHYL)-
SULFAMOYL]-4-PENTYL-BENZAMIDE
A1HOV0.8
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.76
FRY(2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-
2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-
3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-
5-CARBOXAMIDE
A,B2IEG0.71
DSOADAMANTANE-1-CARBOXYLIC ACID-5-
DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-
OCTYL-AMIDE
A1LWL0.79
DSOADAMANTANE-1-CARBOXYLIC ACID-5-
DIMETHYLAMINO-NAPHTHALENE-1-SULFONYLAMINO-
OCTYL-AMIDE
A1RE90.79
B22[2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)-
2-OXOETHYL]IMINO}DIACETATO(2-)-
KAPPAO]COPPER
A2FOU0.79
1C23(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-
BUTYL ESTER
A2F6T0.76