MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02380369

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
OMD	2-(3,6-DIHYDROXYPHENYL)ACETIC ACID	A,B	1AJP	0.75
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B	2TPL	0.72
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B,C,D	3GGP	0.72
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.76
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.76
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.76
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.7
R12	9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID	A	3CBS	0.73
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.78
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.78
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
3HP	3-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCE	0.76
AKV	{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE	A,B,C,D	2F99	0.78
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.73
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.87
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	H,I	1A2C	0.72
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C	1CA7	0.72
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C,D	3GGO	0.72
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.75
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.7
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	0.7
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.7
FHI		A,B	1Y1D	0.76
2PB	2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE	A	1SDE	0.7
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.75
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.75
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A,B,C,D	2F98	0.78
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A	1SJW	0.78
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.81
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.76
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.76
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.76
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.76
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.76
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.76
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.76
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.76
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.8
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.8
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.77
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.77
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.77
FLV	FLAVIOLIN	A	1ZDW	0.83
FLV	FLAVIOLIN	A	1T93	0.83
FLV	FLAVIOLIN	A	2D09	0.83
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.72
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.72
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.72
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.72
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.72
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.74
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.74
PMA	PYROMELLITIC ACID	A,B	1FUP	0.75
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	0.73
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.7
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.7
2E3	(2E)-3-[4-hydroxy-3-(3,5,5,8,8- pentamethyl-5,6,7,8-tetrahydronaphthalen- 2-yl)phenyl]prop-2-enoic acid	A	3FUG	0.71
3CA		A,B	2B77	0.73
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.75
DB1	2,3-DIHYDROXYBENZAMIDE	A,B,C	1X71	0.72
BHQ	2,5-DITERT-BUTYLBENZENE-1,4-DIOL	A,B	2AGV	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.71
GEN	GENISTEIN	A	1QKM	0.71
GEN	GENISTEIN	A,B	1X7J	0.71
GEN	GENISTEIN	A,B	2QA8	0.71
GEN	GENISTEIN	A	1X7R	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	0.73
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.73
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.73
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.73
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.73
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.73
2HC	(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID	A,B	1V5Z	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BV0	0.75
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B,D,F,H,J,L	1YKP	0.75
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1N8Q	0.75
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B	2BSL	0.75
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKL	0.75
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D	1B4U	0.75
DHB	3,4-DIHYDROXYBENZOIC ACID	A	3DX5	0.75
DHB	3,4-DIHYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCA	0.75
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKN	0.75
DHB	3,4-DIHYDROXYBENZOIC ACID	B	1EOB	0.75
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1PHH	0.75
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BUV	0.75
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.79
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.79
ADL	(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID	A,B	1N5S	0.8
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.76
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.76
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.76
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.76
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.76
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.76
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.79
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.79
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.79
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.79
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.79
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.79
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.72
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.7
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.7
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.76
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.76
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
TOH	(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID	A	2IME	0.71
TOH	(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID	A	2IMD	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	0.73
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	0.73
299	2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4E	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
AZN	ALIZARIN RED	H,I,J,K,L,M, N,O	1OAR	0.71
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.77
FBR	(9aS)-4-bromo-9a-butyl-7-hydroxy- 1,2,9,9a-tetrahydro-3H-fluoren- 3-one	A	2GIU	0.71
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.71
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RH4	0.84
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	3CSD	0.84
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHR	0.84
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	1F0Q	0.84
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3C13	0.84
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHC	0.84
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3BQC	0.84
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.82
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.82
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.78
262	2-FORMYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4D	0.72
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B	1D83	0.74
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B	1EKH	0.74
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B	1EKI	0.74
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	0.74
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	0.81
EYK	2-tert-butylbenzene-1,4-diol	D,F	3EYM	0.71
EYK	2-tert-butylbenzene-1,4-diol	B	3EYK	0.71
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.75
ZCT		A,B,C,D,E,F, G,H	3B6A	0.71
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.7
HBD	4-HYDROXYBENZAMIDE	B,C,D	1BEN	0.7
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.79
TMM	1,3,5-BENZENETRICARBOXYLIC ACID	A,B,C,D	1SDL	0.71
TMM	1,3,5-BENZENETRICARBOXYLIC ACID	A,B,C,D	1SDK	0.71
EQI	EQUILIN	A,B	1EQU	0.71
SDN	[(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid	A,B	3B6C	0.77
PHT	PHTHALIC ACID	A,B,C	2B7P	0.73
PHT	PHTHALIC ACID	A	3C2V	0.73
PHT	PHTHALIC ACID	A,B,C,D,E,F	1QPR	0.73
PHT	PHTHALIC ACID	A,B	3C2R	0.73
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.72
MUF	(8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid	A,B	3BEJ	0.72
NOM	7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO- 1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE- 2,6,11-TRIONE	A	1N5V	0.73
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.77
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.77
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.77
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.77
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.77
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.71
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.71
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.71
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.71
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.71
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.7
EQU	EQUILENIN	A,B	1OGX	0.71
EQU	EQUILENIN	A,B,C,D,E,F	1QJG	0.71
EQU	EQUILENIN	A,B	1OH0	0.71
EQU	EQUILENIN	A	1W6Y	0.71
EQU	EQUILENIN	A,B	1CQS	0.71
EQU	EQUILENIN	A	1OGZ	0.71
EQU	EQUILENIN	A	1GS3	0.71
EQU	EQUILENIN	A	1OHO	0.71
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.72
MOA	MYCOPHENOLIC ACID	A	1ME7	0.71
MOA	MYCOPHENOLIC ACID	A,B	1JR1	0.71
MOA	MYCOPHENOLIC ACID	A	1MEI	0.71
MOA	MYCOPHENOLIC ACID	A	1MEH	0.71
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	M,N,O,P,Q,R	3PCN	0.71
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	B	1AI4	0.71
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D	1Q0C	0.71
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B	1F1V	0.71
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.7
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.7
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.78