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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00701199

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TY23-AMINO-L-TYROSINEA,B2VH30.78
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.73
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.75
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.75
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.75
2AC2-AMINO-P-CRESOLH,I1A2C0.8
2AC2-AMINO-P-CRESOLA1L4M0.8
OBA2-(OXALYL-AMINO)-BENZOIC ACIDA1C850.73
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA,B1IVD0.72
ST14-(ACETYLAMINO)-3-HYDROXY-5-NITROBENZOIC ACIDA1IVB0.72
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.83
LI63,4-DIHYDROXY-1-METHYLQUINOLIN-
2(1H)-ONE
A1YXV0.73
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.71
3GV(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A,B3GVB0.79
CNO2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL-
ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)-
METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID
A,B,C,D1K0Y0.7
NPA2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACIDH1NGP0.7
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE
A1YXX0.77
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.73
2AF2-AMINOPHENOLA1L4N0.76
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.72
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.71
BC6(4E,8S,9R,10E,12S,13R,14S,16R)-
13,20-dihydroxy-14-methoxy-4,8,10,12,16-
pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-
1(22),4,10,18,20-pentaen-9-yl carbamate
A,B,C,D2VW50.72
EDREDROPHONIUM IONA1AX90.74
EDREDROPHONIUM IONA2ACK0.74
NU18-HYDROXY-2-METHYL-3-HYDRO-QUINAZOLIN-
4-ONE
A4PAX0.73
ANY2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO-
2-HYDROXY-BENZOYLAMINO)-8-HEPTYL-
2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN-
7-YL ESTER
A,C,D,E,N,P,
Q,R
3H1I0.71
ANY2-METHYL-BUTYRIC ACID 3-(3-FORMYLAMINO-
2-HYDROXY-BENZOYLAMINO)-8-HEPTYL-
2,6-DIMETHYL-4,9-DIOXO-[1,5]DIOXONAN-
7-YL ESTER
A,B,C,D,E,F,
G,O,P,Q,R,S,T
1PPJ0.71
4NL4-AMINOPHENOLA2ORL0.72
GWB4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-
3-ISOPROPYLQUINOLIN-2(1H)-ONE
A1TKX0.7
NIYMETA-NITRO-TYROSINEA2ADP0.72
NIYMETA-NITRO-TYROSINEA3DIV0.72
NIYMETA-NITRO-TYROSINEA2H5U0.72
NIYMETA-NITRO-TYROSINEA1K4Q0.72
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.72
ST24-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACIDA,B1IVC0.76
3XH3-Hydroxyhippuric acidA3E9K0.7
AMYANTIMYCINC,D,E3BCC0.71
TCC2-(2,4-DICHLORO-PHENYLAMINO)-PHENOLA,B1NHW0.74
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.76
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.77
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.71
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.74
ANJ(2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)-
2-HYDROXYBENZOYL]AMINO}-8-HEXYL-
2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-
7-YL (2S)-2-METHYLBUTANOATE
A,B,C,D,E,F,
G,H,I,J,K,L
2QJP0.71
ANJ(2R,3S,6S,7R,8R)-3-{[3-(FORMYLAMINO)-
2-HYDROXYBENZOYL]AMINO}-8-HEXYL-
2,6-DIMETHYL-4,9-DIOXO-1,5-DIOXONAN-
7-YL (2S)-2-METHYLBUTANOATE
A,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R
2QJK0.71
AY1ANTIMYCIN A1C,D,E1NTK0.72
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE
A1ZSJ0.7
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H
2G0B0.72
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.86
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.86
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.86
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.86
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.86
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.76
NCR2-NITRO-P-CRESOLA,B1AHV0.72
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.74
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.71
7901,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4F0.71
DZ3N-(3,5-dibromo-4-hydroxyphenyl)-
4-hydroxy-3,5-dimethylbenzamide
A,B3ESP0.72
AA63-[4,5-DIHYDROXY-2-2-(2-HYDROXYETHYLAMINO)-
PHENYL]-2-METHYLAMINO-PROPIONIC ACID
E,I1QR30.7
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.71
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.71
8785-IODO-2-(OXALYL-AMINO)-BENZOIC ACIDA1ECV0.72
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.71
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.71
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.71
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.71
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.71
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BYX0.74
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BZ00.74
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.7
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A1Q7A0.8
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A,B2BXB0.8
OPB4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYLPYRAZOLIDINE-
3,5-DIONE
A2BXO0.8
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.71
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.71
3FTA2BXV0.72
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.7
AZY3-AZIDO-L-TYROSINEA2YXN0.77
DZ1N-(3,5-dibromo-4-hydroxyphenyl)-
2,6-dimethylbenzamide
A,B3ESN0.75
SH4(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATEH1UM40.7
HPF1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATEA,B1TJP0.74
UA1N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-
N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE
A2I4H0.71
UA1N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-
N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE
A2I4G0.71
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.74
RQ32-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-
METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID
A,B,C,D1G9V0.73
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.72