MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02858174

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

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	M,N,O,P,Q,R	3PCN	0.74
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	B	1AI4	0.74
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D	1Q0C	0.74
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B	1F1V	0.74
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.74
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.74
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.74
HMY	(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy- 3-methoxy-8-methyl-8,9,13,14,15,15a- hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine- 6,12(1aH)-dione	A,B	3C9W	0.72
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.73
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.73
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.72
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.72
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.72
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.72
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.72
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.72
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.72
A18	5-(2-CHLOROBENZYL)-2-FUROIC ACID	A	2Q96	0.79
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.88
C17	7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE	A,B	2V60	0.73
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.7
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.7
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.7
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.7
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.7
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.7
SYR	SYRINGATE	A,B	1WB5	0.76
FC2	5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID	A	2EVM	0.77
NP5	(5E)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWU	0.82
HHH	(2S)-hydroxy(4-hydroxyphenyl)ethanoic acid	A,B	2R5V	0.76
SXX	SINAPINATE	A,B	1WB4	0.7
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3C3U	0.77
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3CV7	0.77
EAA	ETHACRYNIC ACID	A,B	3DGQ	0.81
EAA	ETHACRYNIC ACID	A,B	11GS	0.81
EAA	ETHACRYNIC ACID	A,B,C,D	1GSF	0.81
EAA	ETHACRYNIC ACID	A,B	2GSS	0.81
EAA	ETHACRYNIC ACID	A,B	3GSS	0.81
EAA	ETHACRYNIC ACID	A,B	1GSE	0.81
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.78
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.78
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.73
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.73
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.73
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.73
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.73
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.73
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.81
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	0.72
3CA		A,B	2B77	0.73
NCZ	2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER	A	1J5I	0.72
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.7
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.71
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.73
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.73
3BZ	3-chlorobenzoate	X	2QVZ	0.75
3BZ	3-chlorobenzoate	X	2QVX	0.75
M1S	(5E)-14-CHLORO-15,17-DIHYDROXY- 4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE- 1,12(3H,13H)-DIONE	A	2IWX	0.82
FCD	5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID	A	1XNZ	0.77
L41	{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid	A,B	3D5F	0.72
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.71
FRR	(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY- 14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO- 1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)- DIONE	A	2E14	0.75
VXX	VANILLATE	A,B	1WB6	0.79
CHP	3-CHLORO-4-HYDROXYPHENYLGLYCINE	A	1DSR	0.71
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	0.71
YRG	(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid	A	3CDP	0.75
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.76
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.72
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.7
4FE	(2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid	A	3CBG	0.7
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	H,I	1A2C	0.71
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C	1CA7	0.71
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C,D	3GGO	0.71
P2N	(5Z)-13-CHLORO-14,16-DIHYDROXY- 3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE- 1,11(12H)-DIONE	A	2CGF	0.82
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.81
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.81
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.81
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.81
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.81
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,C,E	1KYZ	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1JT2	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	6ATJ	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1GKL	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GWT	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B,C	2BJH	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GW2	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	3CBG	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	2BNJ	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1UWC	0.7
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	7ATJ	0.7
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	B,C	1JX1	0.7
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1JX0	0.7
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1FM7	0.7
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BV0	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B,D,F,H,J,L	1YKP	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1N8Q	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B	2BSL	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKL	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D	1B4U	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	A	3DX5	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCA	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKN	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	B	1EOB	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1PHH	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BUV	0.76
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.8
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.8
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.8
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.8
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.8
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAV	0.73
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAX	0.73
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B	2TPL	0.71
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B,C,D	3GGP	0.71
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.73
NP4	(5Z)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWS	0.82
OFF	2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]- L-THREO-PENTARIC ACID	A	2OFF	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.78
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.78
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.78
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.78
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.78
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.78
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.78
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.78
3HP	3-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCE	0.73
L1O	4-(2-aminoethoxy)-3,5-dichlorobenzoic acid	A	2VIO	0.81
A15	3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSL	0.8
OMD	2-(3,6-DIHYDROXYPHENYL)ACETIC ACID	A,B	1AJP	0.71
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.83
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.83
GA9	3,3-BIS(3-BROMO-4-HYDROXYPHENYL)- 7-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN- 1-ONE	A,B,C,D	2A9W	0.72
BVL	(2E)-1-[2-hydroxy-4-methoxy-5-(3- methylbut-2-en-1-yl)phenyl]-3-(4- hydroxyphenyl)prop-2-en-1-one	A	2ZBH	0.7
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.71
34Z	3,4-dichlorobenzoate	X	2QVY	0.72
34Z	3,4-dichlorobenzoate	X	2QW0	0.72
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.74
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.74
GEN	GENISTEIN	A	1QKM	0.7
GEN	GENISTEIN	A,B	1X7J	0.7
GEN	GENISTEIN	A,B	2QA8	0.7
GEN	GENISTEIN	A	1X7R	0.7
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2QZZ	0.7
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2R2G	0.7
RDC	RADICICOL	A,B	2Q8I	0.8
RDC	RADICICOL	A,B	1U0Z	0.8
RDC	RADICICOL	A	1BGQ	0.8
RDC	RADICICOL	B,D,F,H	2ZBK	0.8
RDC	RADICICOL	A	2HKJ	0.8
RDC	RADICICOL	A,B,C	3CGY	0.8
RDC	RADICICOL	A,B	2WER	0.8
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.76
MGI	methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate	A	2ZA0	0.7
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.71