MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00046537

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
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.72
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.72
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.77
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.77
NP4	(5Z)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWS	0.85
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.74
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.74
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.74
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.74
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.74
A15	3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSL	0.72
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.78
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.78
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.78
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.78
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.78
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.78
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.78
YZ9	7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER	A,B,C	1GCZ	0.71
NAR	NARINGENIN	A,B	2UXU	0.71
NAR	NARINGENIN	A	2BRT	0.71
NAR	NARINGENIN	A	1CGK	0.71
NAR	NARINGENIN	A,B	1EYQ	0.71
3CA		A,B	2B77	0.77
P2N	(5Z)-13-CHLORO-14,16-DIHYDROXY- 3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE- 1,11(12H)-DIONE	A	2CGF	0.85
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	0.75
L41	{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid	A,B	3D5F	0.7
C17	7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE	A,B	2V60	0.72
EAA	ETHACRYNIC ACID	A,B	3DGQ	0.71
EAA	ETHACRYNIC ACID	A,B	11GS	0.71
EAA	ETHACRYNIC ACID	A,B,C,D	1GSF	0.71
EAA	ETHACRYNIC ACID	A,B	2GSS	0.71
EAA	ETHACRYNIC ACID	A,B	3GSS	0.71
EAA	ETHACRYNIC ACID	A,B	1GSE	0.71
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.83
3BZ	3-chlorobenzoate	X	2QVZ	0.74
3BZ	3-chlorobenzoate	X	2QVX	0.74
34Z	3,4-dichlorobenzoate	X	2QVY	0.71
34Z	3,4-dichlorobenzoate	X	2QW0	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	0.73
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.7
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.74
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.74
SAK	(2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one	A,B,C,D,E,F	3D04	0.71
L1O	4-(2-aminoethoxy)-3,5-dichlorobenzoic acid	A	2VIO	0.72
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3C3U	0.86
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3CV7	0.86
MGI	methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate	A	2ZA0	0.71
A18	5-(2-CHLOROBENZYL)-2-FUROIC ACID	A	2Q96	0.7
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.73
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.73
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.73
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.73
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.73
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.75
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.71
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.71
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.82
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.72
SYR	SYRINGATE	A,B	1WB5	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.73
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.73
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.73
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.73
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.73
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.73
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.73
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.73
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.71
NP5	(5E)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWU	0.85
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	0.74
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.8
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.8
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.8
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.71
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.71
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
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.75
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.72
2PB	2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE	A	1SDE	0.71
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A,B,C,D	1H1M	0.7
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2C1Z	0.7
RDC	RADICICOL	A,B	2Q8I	0.83
RDC	RADICICOL	A,B	1U0Z	0.83
RDC	RADICICOL	A	1BGQ	0.83
RDC	RADICICOL	B,D,F,H	2ZBK	0.83
RDC	RADICICOL	A	2HKJ	0.83
RDC	RADICICOL	A,B,C	3CGY	0.83
RDC	RADICICOL	A,B	2WER	0.83
M1S	(5E)-14-CHLORO-15,17-DIHYDROXY- 4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE- 1,12(3H,13H)-DIONE	A	2IWX	0.85
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.77
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.77
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.77
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.77
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.77
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.77
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.71
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.71
GEN	GENISTEIN	A	1QKM	0.72
GEN	GENISTEIN	A,B	1X7J	0.72
GEN	GENISTEIN	A,B	2QA8	0.72
GEN	GENISTEIN	A	1X7R	0.72
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAV	0.72
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAX	0.72
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	0.71
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.72
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.8
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.8
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.8
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.8
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.8
SN1	2,4-DIHYDROXY-TRANS CINNAMIC ACID	1	1K2I	0.72
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.71
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.77