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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00925911

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
JT5N~2~-(biphenyl-4-ylsulfonyl)-N-
hydroxy-N~2~-(2-hydroxyethyl)glycinamide
A2JT50.75
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.7
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.74
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.75
EG1AMINOMETHYLENECARBONYLAMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDEA1CNW0.73
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.72
IZDISOTHIAZOLIDINONE ANALOGA2CM70.78
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.71
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.72
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.75
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE
A1G4J0.71
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE
A1G540.71
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.88
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.88
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.7
IOE4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9P0.72
IOC4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9O0.72
TP2N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOLA,B1F4D0.89
TP2N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOLA,B1F4C0.89
EG2AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDEA1CNX0.71
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,C2EFM0.7
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.71
IOA4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9N0.72
GSK6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-
2-(4-MORPHOLINYL)-2-OXO ETHYL]-
2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE
A2CJI0.7
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G480.72
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G530.72
3CCN-[(2R)-5-(aminosulfonyl)-2,3-dihydro-
1H-inden-2-yl]-2-propylpentanamide
A2QO80.8
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.72
DP7AC-(D)PHE-PRO-BOROARG-OHH1LHC0.7
TPRTOSYL-D-PROLINEA1F4E0.72
IOF4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9Q0.72
SKF1,2,3,4-TETRAHYDRO-ISOQUINOLINE-
7-SULFONIC ACID AMIDE
A,B1HNN0.72
DI3AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-
GLYCINE-OH
H1LHE0.7
HS7N-oxo-2-(phenylsulfonylamino)ethanamideA3F1A0.72
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.72
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.72
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.72
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.72
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.74
TST4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)-
THIOMORPHOLINE-3-CARBONYL]-AMINO}-
PENTANOIC ACID
A1J4I0.74
HS4N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamideA3F170.75
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.76
MIUN-{(1S)-1-{[4-(3-AMINOPROPYL)PIPERAZIN-
1-YL]CARBONYL}-4-[(DIAMINOMETHYLENE)AMINO]BUTYL}-
3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE
H1W7G0.75
G0GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-
BENZYLBENZENESULFONAMIDE)
A,B2PQZ0.73
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.7
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.7
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.74
BM2S-(R*,R*)]-4-[AMINOIMINOMETHYL)AMINO]-
N-[[1-[3-HYDROXY -2-[(2-NAPHTHALENYLSULFONYL)AMINO]-
1-OXOPROPYL]-2-PYRROLIDINYL] METHYL]BUTANAMIDE
H1BMM0.7
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G450.72
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G1D0.72
R565-OXO-6-PHENYLMETHANESULFONYLAMINO-
HEXAHYDRO-THIAZOLO[3,2-A]PYRIDINE-
3-CARBOXYLIC ACID (3-GUANIDINO-
PROPYL)-AMIDE
F1BHX0.71
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G460.72
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G520.72
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide
H,I3DT00.7
TTXTENTOXINB1KMH0.72
NFTN-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-
(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-
TRIFLUOROETHYL}-L-LEUCINAMIDE
A1VSN0.77
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.71
INW4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9M0.72
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.72
B15[2,2'-({4-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]BENZYL}IMINO)DIACETATO(2-
)-KAPPAO]COPPER
A2FOQ0.71
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.7
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.76
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.71
B30{2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-
)-KAPPAO}COPPER
A2FOV0.75
B30{2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-
)-KAPPAO}COPPER
A,B2FOY0.75
STB4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDEA1OKN0.76
YDP(3S,4S),-3,4-Bis-[(4-carbamoyl-
benzensulfonyl)-(3-methyl-but-2-
enyl)-amino]-pyrrolidine
A2ZGA0.75
YDP(3S,4S),-3,4-Bis-[(4-carbamoyl-
benzensulfonyl)-(3-methyl-but-2-
enyl)-amino]-pyrrolidine
A,B3CKT0.75
QN2N,N'-(3S,4S)-pyrrolidine-3,4-diylbis[N-
(4-iodobenzyl)benzenesulfonamide]
A,B2QNP0.7
RA8N-(BENZYLSULFONYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE
H,I1YPL0.78
TCKN-[(1S)-5-amino-1-(chloroacetyl)pentyl]-
4-methylbenzenesulfonamide
A1ARC0.72
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.7
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.7
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
INV4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9L0.72
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.78
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.7
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.7
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.7
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.7
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.7
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.7
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.7
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.7
T29TRI166 (BIFUNCTIONAL BORONATE INHIBITOR)H1A3B0.71