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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00845340

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE		A1ZSJ0.71
OXIOXOLINIC ACIDA,B1KSE0.73
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.77
GBS4-GUANIDINOBENZOIC ACIDX2AH40.71
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.71
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.71
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.71
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.75
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.75
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.83
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.83
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.83
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.71
R373-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE		A1LF20.71
R2C5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACIDA2PRL0.92
MHBA,B1SRG0.83
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.76
ILFA2FPY0.7
D554-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-
3,5-dimethylbenzamide		A2VIQ0.74
AVE4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-
3-trifluoromethoxybenzoic acid		A,B3CEH0.71
BSDN-{(1S,2R)-1-benzyl-2-hydroxy-3-
[(3-methoxybenzyl)amino]propyl}-
5-[methyl(methylsulfonyl)amino]-
N'-[(1R)-1-phenylethyl]benzene-
1,3-dicarboxamide		A,B,C,D2VKM0.71
3FTA2BXV0.8
BN55-[3-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-
2-METHYLPHENOXY]PENTANOIC ACID		A1WV10.74
7613-(OXALYL-AMINO)-NAPHTHALENE-2-
CARBOXYLIC ACID		A1C840.74
DRF(2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN-
10-YL)ETHOXY]PHENYL}PROPANOIC ACID		A1NYX0.71
IDB3-[5-[(3-CARBOXY-2,4,6-TRIIODO-
PHENYL)CARBAMOYL]PENTANOYLAMINO]-
2,4,6-TRIIODO-BENZOIC ACID		A2BXN0.73
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L		3EWF0.72
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.72
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.72
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.72
IHUN-(2-CHLORO-4-FLUOROBENZOYL)-N'-
(5-HYDROXY-2-METHOXYPHENYL)UREA		A,B2ATI0.72
6CAA2FLM0.87
ILCA2FPV0.74
RXDN-[3-(2-fluoroethoxy)phenyl]-N'-
(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-
6-yl)butanediamide		A,B,C,D3DEK0.7
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.72
4DE1-(4-METHOXYPHENYL)-3,5-DIMETHYL-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER		A,B1Y2D0.71
ACJ5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-
2-NITROBENZOIC ACID		A,B2IVD0.72
I25(2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){3-
[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-
5-ETHYLPHENYL}ACETIC ACID		H,I2V3H0.72
I26(2R)-[(4-CARBAMIMIDOYLPHENYL)AMINO]{3-
[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-
5-ETHYL-2-FLUOROPHENYL}ETHANOIC ACID		H2V3O0.71
P2C2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACIDA,B1U210.83
UC31-METHYL ETHYL 2-CHLORO-5-[[[(1-
METHYLETHOXY)THIOOXO]METHYL]AMINO]-
BENZOATE		A1RT60.7
SX12-amino-5-bromobenzoic acidA,B3CIZ0.71
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE		A1YXX0.73
PAB4-AMINOBENZOIC ACIDA1PBD0.71
PAB4-AMINOBENZOIC ACIDB2DZA0.71
PAB4-AMINOBENZOIC ACIDA1IUS0.71
PAB4-AMINOBENZOIC ACIDA1IUU0.71
PAB4-AMINOBENZOIC ACIDA1IUT0.71
CNO2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL-
ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)-
METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID		A,B,C,D1K0Y0.75
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.81
ILHA2FQI0.76
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1J6Z0.74
RHOTETRAMETHYLRHODAMINE-5-MALEIMIDEA1NWK0.74
B235-(2-NITROPHENYL)-2-FUROIC ACIDA2Q920.71
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.84
IC13-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-
INDOLIN-2-ONE		A,B1EH40.77
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.75
5153-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-
CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-
L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID		A1NNY0.7
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.77
1954-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6Q0.7
NATETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-
5-CARBOXYLATE		A,B1Q0B0.71
NATETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-
5-CARBOXYLATE		A,B1X880.71
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.77
ILBA2FPT0.78
4216-CARBAMIMIDOYL-4-(3-HYDROXY-2-
METHYL-BENZOYLAMINO)-NAPHTHALENE-
2-CARBOXYLIC ACID METHYL ESTER		A1ZSK0.75
4522-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACIDA,B2QE20.72
44CA2FBR0.87
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid		A,B2RJS0.71
U04({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN-
3-YL)-PROPYL]-PHENYLCARBAMOYL}-
METHYL)-CARBAMIC ACID TERT-BUTYL ESTER		A4UPJ0.73
1944-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACIDA1Z6P0.72
BN44-[4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-
2,3-DIMETHYLPHENOXY]BUTANOIC ACID		A1WV00.74
NABA,B1SRJ0.75
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.72
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.72
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.72
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H		1F8S0.77
BE22-AMINOBENZOIC ACIDE,I1ZFP0.77
BE22-AMINOBENZOIC ACIDA,B2HU80.77
BE22-AMINOBENZOIC ACIDA,B1AN90.77
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.77
BE22-AMINOBENZOIC ACIDA,B2YR60.77
BE22-AMINOBENZOIC ACIDA,I1E8N0.77
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.77
BE22-AMINOBENZOIC ACIDA1C0I0.77
BE22-AMINOBENZOIC ACIDA,B2JB30.77
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.77
PH7(2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]-
2-PROPENOIC ACID		A1YVF0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.7
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.7
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.7
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.7
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.7
3MB3-METHOXYBENZAMIDEA3PAX0.72
FUN5-(AMINOSULFONYL)-4-CHLORO-2-[(2-
FURYLMETHYL)AMINO]BENZOIC ACID		A1Z9Y0.72
DPAA,B1PIK0.76
FLGFLUORESCEINYLTHIOUREIDOA,B1OCB0.72
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE		B1GJA0.76
BPDN-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-
4,6-DICARBOXYLIC ACID		A1DVY0.75
NU18-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-
4-ONE		A4PAX0.71
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE		P1JCM0.73
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE		A1LBM0.73
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE		A1LBL0.73
1371-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-
D-RIBULOSE-5-PHOSPHATE		A1LBF0.73
R6GRHODAMINE 6GB2V3L0.74
ZY3N-{(1S,2R)-1-BENZYL-2-HYDROXY-3-
[(3-METHOXYBENZYL)AMINO]PROPYL}-
6-(ETHYLAMINO)-1-METHYL-1,3,4,5-
TETRAHYDRO-2,1-BENZOTHIAZEPINE-
8-CARBOXAMIDE 2,2-DIOXIDE		A2WF30.71
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID		A2CBR0.73
4182-{4-[2-(S)-ALLYLOXYCARBONYLAMINO-
3-{4-[(2-CARBOXY-PHENYL)-OXALYL-
AMINO]-PHENYL}-PROPIONYLAMINO]-
BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER		A1PH00.75
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.71
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B3CFQ0.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1SV90.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA1NR60.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA3HWV0.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDB1DVX0.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B6D0.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA,B,C,D1PXX0.7
DIF2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACIDA2B170.7
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.72
BN27-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACIDA1WUT0.75
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.73
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.73
EOZ3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACIDA,B,C,D2FZK0.71
GFA2-[4-chloro-2-(phenylcarbonyl)phenoxy]-
N-phenylacetamide		A3DLE0.71
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.73
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.78
6172-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACIDA2QE50.83
DMBA,B1SRI0.81
331(2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]-
1-HEPTYLUREIDO)ETHYL]PHENOXY)-2-
METHYLBUTYRIC ACID		A,B1Y0S0.7
MTBA,B1SRF0.79
4BU(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-
2-phenyl-ethoxy]phenyl]amino]-5-
oxo-pentanoic acid		A3CHS0.75
K55(2S)-2-{4-butoxy-3-[({[2-fluoro-
4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid		A,B2ZNP0.71
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID		G4GCH0.73
BRK{(2Z)-4-AMINO-2-[(4-METHOXYPHENYL)IMINO]-
2,3-DIHYDRO-1,3-THIAZOL-5-YL}(4-
METHOXYPHENYL)METHANONE		A2IZR0.73
HABA,B1SRE0.83
RQ32-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-
METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID		A,B,C,D1G9V0.78
VG4N-[(1S,2R)-1-benzyl-3-{[(1S)-2-
(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-
2-hydroxypropyl]-3-(2-oxo-2,3-dihydro-
1H-pyrrol-1-yl)-5-propoxybenzamide		A2VIZ0.7
R364-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-
ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-
5-PHENYL-PENTYL}-BENZAMIDE		A1LEE0.71
NBQ2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]-
3-OXOPROP-1-ENYL}AMINO)TYROSINE		A1SII0.71
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid		A,B,C,D2VD00.89
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.76
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.76
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.76
3B6(2S)-N-(4-cyano-3-iodophenyl)-3-
(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide		A3B650.7
RAC4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-
BENZOIC ACID		H1MEX0.79
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.71
7942-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACIDA1NO60.72
9682-[(7-HYDROXY-NAPHTHALEN-1-YL)-
OXALYL-AMINO]-BENZOIC ACID		A1ONZ0.76
MBQ2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]-
3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE		A1SIH0.76
F792-(2-AMINOETHOXY)-3-ETHYL-6-{[(4-
FLUOROPHENYL)SULFONYL]AMINO}BENZOIC ACID		A2EA40.71
RHQRHODAMINE 6GA,B,D,E1JUS0.74
RHQRHODAMINE 6GA,B,D,E3BR50.74
RHQRHODAMINE 6GA,D,E3BR60.74
RHQRHODAMINE 6GA,B3D6Z0.74
RHQRHODAMINE 6GA1OY80.74
RHQRHODAMINE 6GA1T9V0.74
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.79
ST54-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACIDA,B1ING0.71
BN34-[3-CHLORO-4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]BUTANOIC ACIDA1WUY0.75
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE		A,B,C,D,E,F,
G,H		2ACL0.77
DZ3N-(3,5-dibromo-4-hydroxyphenyl)-
4-hydroxy-3,5-dimethylbenzamide		A,B3ESP0.74
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.77
RXB(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-
1,2,3,4-tetrahydroisoquinolin-5-
yl)amino]ethyl acetate		A,B,C,D3DEI0.71
DZ1N-(3,5-dibromo-4-hydroxyphenyl)-
2,6-dimethylbenzamide		A,B3ESN0.74
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.72
2T12-[({4-[2-(trifluoromethyl)phenyl]piperidin-
1-yl}carbonyl)amino]benzoic acid		A,B3FMZ0.72
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid		A,B2ZNQ0.73
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.72
MOBA,B1SRH0.8
A415-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACIDA1YW70.73
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.73
GAB3-AMINOBENZOIC ACIDA,B3GSB0.73
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.73
GAB3-AMINOBENZOIC ACIDA3FHB0.73
L1R4-(2-AMINOETHOXY)-3,5-DICHLORO-
N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE		A2VIP0.7
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.73