MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02646890

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
CIO	CILOMILAST	A,B	1XOM	0.74
CIO	CILOMILAST	A,B	1XLX	0.74
4HC	4-HYDROXY-2H-CHROMEN-2-ONE	A,B	1V5Y	0.71
BRZ	6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY- 1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2- G]CHROMEN-7-ONE	C	1K3T	0.74
4FE	(2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid	A	3CBG	0.81
DHC	CAFFEIC ACID	A,B,C,D,E,F, G,H	2O7D	0.72
DHC	CAFFEIC ACID	A	1KOU	0.72
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.78
EUG	2-METHOXY-4-VINYL-PHENOL	A	2QU9	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1QLU	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1J	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	2VAO	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1K	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1DZN	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1L	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1M	0.74
EGT	2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN- 3,5,7-TRIOL	A	1JNQ	0.71
667	6-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN- 3-O-SULFAMATE	A	1TTM	0.74
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.71
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.71
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.72
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.72
UQ6	5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL	C,D,E	1EZV	0.73
UQ6	5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL	A,C,D,E	1P84	0.73
UQ6	5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL	C,D,E	2IBZ	0.73
UQ6	5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL	A,C,D,E	1KB9	0.73
4MU	7-hydroxy-4-methyl-2H-chromen-2- one	A,B	3ETS	0.76
VXX	VANILLATE	A,B	1WB6	0.78
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.75
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.75
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.75
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.75
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.75
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,C,E	1KYZ	0.81
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1JT2	0.81
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	6ATJ	0.81
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1GKL	0.81
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GWT	0.81
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B,C	2BJH	0.81
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GW2	0.81
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	3CBG	0.81
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	2BNJ	0.81
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1UWC	0.81
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	7ATJ	0.81
SYR	SYRINGATE	A,B	1WB5	0.81
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.71
U03	4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE	A	3UPJ	0.72
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
HXP	3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID	A	1XAN	0.71
MUG	4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE	A,B,C,D	1CJP	0.72
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.71
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.77
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.77
FX3	5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop- 2-enoyl]-alpha-L-ribofuranose	A	2VGD	0.76
MGI	methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate	A	2ZA0	0.74
HFL	5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL	C,F	1KYW	0.79
YZ9	7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER	A,B,C	1GCZ	0.77
SN1	2,4-DIHYDROXY-TRANS CINNAMIC ACID	1	1K2I	0.75
8MO	METHOXSALEN	A,B,C,D	1Z11	0.72
MAX	MATAIRESINOL	A	2BGM	0.7
SXX	SINAPINATE	A,B	1WB4	0.87
COU	COUMARIN	A	3CRB	0.73
COU	COUMARIN	A	2PMJ	0.73
COU	COUMARIN	A	2H90	0.73
COU	COUMARIN	A,B,C,D	1Z10	0.73
COU	COUMARIN	A	2PWB	0.73
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.8
HOM	7-HYDROXY-4-METHYL-3-(2-HYDROXY- ETHYL)COUMARIN	C,D	1CJF	0.76
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2QZZ	0.73
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2R2G	0.73
8CM	8-HYDROXYCOUMARIN	A	2H8Z	0.74
300	2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE	A	1O41	0.72
KOM	7,8-dihydroxy-4-phenyl-2H-chromen- 2-one	A	2ZVJ	0.78
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.72
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.72
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.72
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.72
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.72
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.72
HIB	4-HYDROXY-5-IODO-2,3-DIMETHOXY- 6-METHYLBENZOIC ACID	A	2PIK	0.71
HV7	1-METHYLAMINE-2-HYDROXY-4-METHOXY- BENZENE	C	1A8G	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	0.7
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.73