MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02313227

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
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.71
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.73
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.73
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.78
BZF	BENZOFURAN	A	182L	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.83
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.83
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.83
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.83
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.83
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.83
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.73
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.73
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.74
4BR	2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE	A	1PE7	0.77
BR3	(6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE	A	1PE5	0.74
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.71
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.7
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.7
B29	[2-(3-DIBENZOFURAN-4-YL-PHENYL)- 1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID	A,B	2E98	0.72
B29	[2-(3-DIBENZOFURAN-4-YL-PHENYL)- 1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID	A,B	2E93	0.72
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	0.73
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.76
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A,B,C,D	1H1M	0.71
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2C1Z	0.71
INK	(RP,SP)-O-(2R)-(1-PHENOXYBUT-2- YL)-METHYLPHOSPHONIC ACID CHLORIDE	A	1HQD	0.7
VII	2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID	A,B	2GFK	0.7
2PB	2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE	A	1SDE	0.84
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.72
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.72
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.71
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.72
BHF	2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE	A	2HI4	0.73
ZHZ	2-(4-METHOXYPHENYL)ACETAMIDE	D,H	2HKR	0.75
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.75
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.75
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.75
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.75
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.75
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.75
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.85
1NH	(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE	B	1O1S	0.75
VXX	VANILLATE	A,B	1WB6	0.73
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A	2Z9C	0.73
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B	1OOQ	0.73
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B,C,D,E,F, G,H	2F1O	0.73
299	2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4E	0.84
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.82
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.71
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.71
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.71
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.71
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.71
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.71
NAR	NARINGENIN	A,B	2UXU	0.72
NAR	NARINGENIN	A	2BRT	0.72
NAR	NARINGENIN	A	1CGK	0.72
NAR	NARINGENIN	A,B	1EYQ	0.72
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.71
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.71
GEN	GENISTEIN	A	1QKM	0.74
GEN	GENISTEIN	A,B	1X7J	0.74
GEN	GENISTEIN	A,B	2QA8	0.74
GEN	GENISTEIN	A	1X7R	0.74
4FE	(2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid	A	3CBG	0.7
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.74
POT	(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE	A	2NW6	0.7
SYR	SYRINGATE	A,B	1WB5	0.7
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
300	2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE	A	1O41	0.89
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.76
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.76
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
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	0.71
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
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.72
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.72
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.75
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	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	0.72
EPL	DIETHYL 4-METHOXYPHENYL PHOSPHATE	A	2R1N	0.73
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	0.77
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.73
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.7
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.7
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.7
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.7
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.7
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	B,C	1JX1	0.73
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1JX0	0.73
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1FM7	0.73
219	CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4I	0.85
CP5	(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE	A	1SCW	0.71
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
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.73
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.78
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.71
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.71
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.71
262	2-FORMYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4D	0.86