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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03464499

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.72
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.7
CNO2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL-
ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)-
METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID
A,B,C,D1K0Y0.72
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.7
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.7
MTBA,B1SRF0.72
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.77
4NL4-AMINOPHENOLA2ORL0.72
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.7
L051-BENZYL-3-(4-METHOXYPHENYLAMINO)-
4-PHENYLPYRROLE-2,5-DIONE
A,B,C,D,E,F,
G,H
2ACL0.71
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.76
UA1N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-
N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE
A2I4H0.72
UA1N-(TERT-BUTOXYCARBONYL)-L-TYROSYL-
N-METHYL-4-(SULFOAMINO)-L-PHENYLALANINAMIDE
A2I4G0.72
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.74
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.77
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.74
GWB4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-
3-ISOPROPYLQUINOLIN-2(1H)-ONE
A1TKX0.72
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.72
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.72
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.72
EDREDROPHONIUM IONA1AX90.72
EDREDROPHONIUM IONA2ACK0.72
4BU(2S)-2-amino-5-[[4-[(2S)-2-hydroxy-
2-phenyl-ethoxy]phenyl]amino]-5-
oxo-pentanoic acid
A3CHS0.71
TY23-AMINO-L-TYROSINEA,B2VH30.71
2AC2-AMINO-P-CRESOLH,I1A2C0.73
2AC2-AMINO-P-CRESOLA1L4M0.73
SH4(1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATEH1UM40.73
3GV(3S)-1-(2-hydroxyphenyl)-5-oxopyrrolidine-
3-carboxylic acid
A,B3GVB0.72
ILHA2FQI0.73
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
A80N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO-
NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID
A2CBR0.75
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,D2VW50.76
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.96
D272-{[(2E)-3-(3,4-dimethoxyphenyl)prop-
2-enoyl]amino}benzoic acid
A,B,C,D2VD00.7
3FTA2BXV0.73
DZ1N-(3,5-dibromo-4-hydroxyphenyl)-
2,6-dimethylbenzamide
A,B3ESN0.77
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
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H
2G0B0.7
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BYX0.7
C002-(4-hydroxybiphenyl-3-yl)-4-methyl-
1H-isoindole-1,3(2H)-dione
A3BZ00.7
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.73
709N-(7-CARBAMIMIDOYL-NAPHTHALEN-1-
YL)-3-HYDROXY-2-METHYL-BENZAMIDE
A1ZSJ0.72
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE
A1YXX0.79
LI63,4-DIHYDROXY-1-METHYLQUINOLIN-
2(1H)-ONE
A1YXV0.71
AY1ANTIMYCIN A1C,D,E1NTK0.71
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
RQ32-{4-[(3,5-DIMETHYLANILINO)-CARBONYL-
METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID
A,B,C,D1G9V0.74
DZ3N-(3,5-dibromo-4-hydroxyphenyl)-
4-hydroxy-3,5-dimethylbenzamide
A,B3ESP0.73
FDI4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACIDA1B9S0.7
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.74
ILBA2FPT0.71
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.73