MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03308686

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
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.71
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.71
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.81
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.81
MOA	MYCOPHENOLIC ACID	A	1ME7	0.74
MOA	MYCOPHENOLIC ACID	A,B	1JR1	0.74
MOA	MYCOPHENOLIC ACID	A	1MEI	0.74
MOA	MYCOPHENOLIC ACID	A	1MEH	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
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.71
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.71
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.73
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.73
OMD	2-(3,6-DIHYDROXYPHENYL)ACETIC ACID	A,B	1AJP	0.73
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.73
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.73
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.73
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.72
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.72
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RH4	0.82
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	3CSD	0.82
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHR	0.82
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	1F0Q	0.82
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3C13	0.82
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHC	0.82
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3BQC	0.82
AZN	ALIZARIN RED	H,I,J,K,L,M, N,O	1OAR	0.7
3CA		A,B	2B77	0.72
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.75
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
SDN	[(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid	A,B	3B6C	0.8
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.77
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.77
VII	2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID	A,B	2GFK	0.7
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B	1D83	0.82
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B	1EKH	0.82
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B	1EKI	0.82
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B,C,D	1VAQ	0.82
PMA	PYROMELLITIC ACID	A,B	1FUP	0.73
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.72
2HI	(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-4H-CHROMEN-4-ONE	A	1ZG3	0.71
FLV	FLAVIOLIN	A	1ZDW	0.83
FLV	FLAVIOLIN	A	1T93	0.83
FLV	FLAVIOLIN	A	2D09	0.83
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.76
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.76
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.76
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.76
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.76
MUF	(8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid	A,B	3BEJ	0.71
CRH	1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYROXY-7-METHYLANTHRACENE	A,B	146D	0.79
CRH	1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYROXY-7-METHYLANTHRACENE	A,B	207D	0.79
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
ZCT		A,B,C,D,E,F, G,H	3B6A	0.77
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.73
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.73
299	2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4E	0.71
DXB	1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYDROXY-7-METHYL-ANTHRACENE	A,B	1BP8	0.79
AKV	{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE	A,B,C,D	2F99	0.81
ADL	(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID	A,B	1N5S	0.8
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.86
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	B,C	1JX1	0.72
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1JX0	0.72
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1FM7	0.72
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
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.73
NOM	7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO- 1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE- 2,6,11-TRIONE	A	1N5V	0.77
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
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A,B,C,D	2F98	0.79
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A	1SJW	0.79
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.7
DXA	1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE	A,B	1CP8	0.79
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	0.82
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	0.73
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
PHT	PHTHALIC ACID	A,B,C	2B7P	0.7
PHT	PHTHALIC ACID	A	3C2V	0.7
PHT	PHTHALIC ACID	A,B,C,D,E,F	1QPR	0.7
PHT	PHTHALIC ACID	A,B	3C2R	0.7
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.71
219	CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4I	0.7
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.77
ERD	(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7- DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN- 4-ONE	D,F	2NNL	0.7
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.73
NCZ	2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER	A	1J5I	0.71
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.75
SIG	STIGMATELLIN	C,D,E	2BCC	0.7
SIG	STIGMATELLIN	C,D,E	3BCC	0.7
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.73
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.74
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.74
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.74
FHI		A,B	1Y1D	0.75
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.77