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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00083142

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.74
BI6(3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)-
6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}-
5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2-
A]AZOCINE-3-CARBOXAMIDE
A2JK70.71
3CCN-[(2R)-5-(aminosulfonyl)-2,3-dihydro-
1H-inden-2-yl]-2-propylpentanamide
A2QO80.76
PI0(2S)-N-[(4-carbamimidoylphenyl)methyl]-
2-[[(2R,3R)-3-methyl-2-(phenylmethylsulfonylamino)pentanoyl]amino]pentanediamide
H,L2ZP00.71
B22[2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)-
2-OXOETHYL]IMINO}DIACETATO(2-)-
KAPPAO]COPPER
A2FOU0.73
EG2AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDEA1CNX0.8
MNO(3S)-N-METHANESULFONYL-3-({1-[N-
(2-NAPHTOYL)-L-VALYL]-L-PROLYL}AMINO)-
4-OXOBUTANAMIDE
A1BMQ0.74
STB4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDEA1OKN0.84
INRA,C1E9H0.71
INRA1UZU0.71
INRA,B1V0O0.71
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.74
G4G4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDEB2R380.81
G4G4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDEA,B2PWR0.81
G4G4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDEB2R3T0.81
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.7
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.7
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.78
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE
A1G4J0.81
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE
A1G540.81
IZDISOTHIAZOLIDINONE ANALOGA2CM70.78
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.71
B34(5S)-1-benzyl-3-(1,1-dioxido-1,2-
benzisothiazol-3-yl)-4-hydroxy-
5-(1-methylethyl)-1,5-dihydro-2H-
pyrrol-2-one
A,B3D280.72
LS53-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-
2-OXO-2,3-DIHYDRO-1H-INDOLE
A1KE90.74
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.7
INV4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9L0.82
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.8
LSA1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-
DIOXIDE
A2Q1B0.81
LSA1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-
DIOXIDE
A2Q380.81
INW4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9M0.81
UKP[2,4,6-TRIISOPROPYL-PHENYLSULFONYL-
L-[3-AMIDINO-PHENYLALANINYL]]-N'-
BETA-ALANINYL-PIPERAZINE
A1F920.7
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.72
16UN-(3-chlorobenzyl)-1-(4-methylpentanoyl)-
L-prolinamide
H,I3DT00.71
FR12-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3-
TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN-
1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID
N1MMJ0.73
G23(2R,4S)-2-[(R)-BENZYLCARBAMOYL-
PHENYLACETYL-METHYL]-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID
A1HTE0.71
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.71
EG3PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDEA1CNY0.81
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.76
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.76
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.76
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.76
B15[2,2'-({4-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]BENZYL}IMINO)DIACETATO(2-
)-KAPPAO]COPPER
A2FOQ0.78
SG21-METHYL-3-OXO-1,3-DIHYDRO-BENZO[C]ISOTHIAZOLE-
5-SULFONIC ACID AMIDE
A1KWR0.74
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.75
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G460.81
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G520.81
BOSN-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDEA2HD60.74
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G450.82
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G1D0.82
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.74
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.72
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.71
TFK3-[[(METHYLAMINO)SULFONYL]AMINO]-
2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-
1-(1-METHYLETHYL)-2-OXOPHENYL]-
1(2H)-PYRIDINE ACETAMIDE
A1EAS0.72
ENBETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-
BUTOXYCARBONYL)-L-VALYL]AMINO}-
2-PHENYLETHANOYL)AMINO]-5-[(3S)-
2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE
A,B2D2D0.72
T29TRI166 (BIFUNCTIONAL BORONATE INHIBITOR)H1A3B0.7
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.84
21UD-leucyl-N-(3-chlorobenzyl)-L-prolinamideH,I2ZGB0.71
TP4N-[4-[[GLUTAMIC ACID]-CARBONYL]-
BENZENE-SULFONYL-D-PROLINYL]-3-
AMINO-PROPANOIC ACID
A,B1F4G0.81
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.71
F20N-BENZOYL-L-PHENYLALANYL-4-[(5S)-
1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-
5-YL]-L-PHENYLALANINAMIDE
A2CMA0.83
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.76
IOE4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9P0.81
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.75
IOC4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9O0.81
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,B3EYL0.7
BLI4-OXO-2-PHENYLMETHANESULFONYL-OCTAHYDRO-
PYRROLO[1,2-A]PYRAZINE-6-CARBOXYLIC ACID [1-
(N-HYDROXYCARBAMIMIDOYL)-PIPERIDIN-
4-YLMETHYL]-AMIDE
A1JWT0.7
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
A2CMB0.74
EG1AMINOMETHYLENECARBONYLAMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDEA1CNW0.82
TP34-[[GLUTAMIC ACID]-CARBONYL]-BENZENE-
SULFONYL-D-PROLINE
A,B1F4F0.8
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.76
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.71
QN14,4'-[(3S,4S)-pyrrolidine-3,4-diylbis({[4-
(trifluoromethyl)benzyl]imino}sulfonyl)]dibenzamide
A,B2QNN0.78
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.73
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.7
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.71
TP2N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOLA,B1F4D0.8
TP2N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOLA,B1F4C0.8
B17{1-[4-(AMINOSULFONYL)PHENYL]-11-
[(CARBOXY-KAPPAO)METHYL]-1-OXO-
5,8-DIOXA-2,11-DIAZATRIDECAN-13-
OATO(2-)-KAPPAO~13~}COPPER
A2FOS0.77
RA8N-(BENZYLSULFONYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE
H,I1YPL0.72
TTXTENTOXINB1KMH0.72
IOF4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9Q0.81
S2DN-BENZOYL-D-ALANINEA,B2JCI0.75
B30{2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-
)-KAPPAO}COPPER
A2FOV0.84
B30{2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-
)-KAPPAO}COPPER
A,B2FOY0.84
NFTN-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-
(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-
TRIFLUOROETHYL}-L-LEUCINAMIDE
A1VSN0.77
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1PI40.7
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B2FFY0.7
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1MY80.7
1603-(3-{2-[(5-METHANESULFONYL-THIOPHENE-
2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}-
BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID
A,B1NMQ0.71
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
A1B0F0.71
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
A1B0E0.71
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.78
IOA4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9N0.81
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA,B2NMX0.75
M25N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDEA2NNS0.75
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G480.81
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G530.81
CRJN-(1-CYANOCYCLOPROPYL)-3-({[(2S)-
5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)-
N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-
FLUOROPHENYL)ETHYL]-L-ALANINAMIDE
A,B2FQ90.71
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.86
LS1N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
A1KE50.77
VG3N-[(1S,2R)-1-benzyl-3-{[(1S)-2-
(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-
2-hydroxypropyl]-3-(pentylsulfonyl)benzamide
A2VIY0.73
G0GN,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-
BENZYLBENZENESULFONAMIDE)
A,B2PQZ0.72
YDP(3S,4S),-3,4-Bis-[(4-carbamoyl-
benzensulfonyl)-(3-methyl-but-2-
enyl)-amino]-pyrrolidine
A2ZGA0.85
YDP(3S,4S),-3,4-Bis-[(4-carbamoyl-
benzensulfonyl)-(3-methyl-but-2-
enyl)-amino]-pyrrolidine
A,B3CKT0.85