MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02898604

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
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.77
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.77
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.77
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.77
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.77
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	0.72
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.84
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.84
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.84
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.84
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.84
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.71
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.75
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.75
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3C3U	0.73
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3CV7	0.73
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A	2Z9C	0.7
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B	1OOQ	0.7
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B,C,D,E,F, G,H	2F1O	0.7
L1O	4-(2-aminoethoxy)-3,5-dichlorobenzoic acid	A	2VIO	0.84
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.72
EAA	ETHACRYNIC ACID	A,B	3DGQ	0.83
EAA	ETHACRYNIC ACID	A,B	11GS	0.83
EAA	ETHACRYNIC ACID	A,B,C,D	1GSF	0.83
EAA	ETHACRYNIC ACID	A,B	2GSS	0.83
EAA	ETHACRYNIC ACID	A,B	3GSS	0.83
EAA	ETHACRYNIC ACID	A,B	1GSE	0.83
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.7
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.7
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.72
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.72
A15	3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSL	0.75
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.83
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.88
P2N	(5Z)-13-CHLORO-14,16-DIHYDROXY- 3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE- 1,11(12H)-DIONE	A	2CGF	0.77
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	0.7
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	0.71
NP4	(5Z)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWS	0.77
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.7
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.7
A18	5-(2-CHLOROBENZYL)-2-FUROIC ACID	A	2Q96	0.78
SC4	1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE	1,4	1EAH	0.71
SC4	1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE	1,4	3EPF	0.71
YRG	(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid	A	3CDP	0.75
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.74
FC2	5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID	A	2EVM	0.76
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
3BZ	3-chlorobenzoate	X	2QVZ	0.71
3BZ	3-chlorobenzoate	X	2QVX	0.71
VXX	VANILLATE	A,B	1WB6	0.76
RDC	RADICICOL	A,B	2Q8I	0.76
RDC	RADICICOL	A,B	1U0Z	0.76
RDC	RADICICOL	A	1BGQ	0.76
RDC	RADICICOL	B,D,F,H	2ZBK	0.76
RDC	RADICICOL	A	2HKJ	0.76
RDC	RADICICOL	A,B,C	3CGY	0.76
RDC	RADICICOL	A,B	2WER	0.76
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.72
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.72
M1S	(5E)-14-CHLORO-15,17-DIHYDROXY- 4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE- 1,12(3H,13H)-DIONE	A	2IWX	0.77
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.7
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAV	0.75
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAX	0.75
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.77
FCD	5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID	A	1XNZ	0.76
C17	7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE	A,B	2V60	0.79
DIC	3,4-DICHLOROISOCOUMARIN	A	1DIC	0.71
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.7
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.71
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
NP5	(5E)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWU	0.77
SYR	SYRINGATE	A,B	1WB5	0.73
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.8
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.8
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.71