MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02216390

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
2PB	2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE	A	1SDE	0.72
ZCT		A,B,C,D,E,F, G,H	3B6A	0.73
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.79
EYK	2-tert-butylbenzene-1,4-diol	D,F	3EYM	0.75
EYK	2-tert-butylbenzene-1,4-diol	B	3EYK	0.75
MNY	5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE	A	1M2R	0.71
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A,B,C,D	2F98	0.77
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A	1SJW	0.77
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.72
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
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.8
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.8
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.8
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.8
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.8
FBR	(9aS)-4-bromo-9a-butyl-7-hydroxy- 1,2,9,9a-tetrahydro-3H-fluoren- 3-one	A	2GIU	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	0.71
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.8
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.73
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.71
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.87
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.79
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.79
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.79
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.79
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	M,N,O,P,Q,R	3PCN	0.73
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	B	1AI4	0.73
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D	1Q0C	0.73
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B	1F1V	0.73
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.72
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.73
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
PHT	PHTHALIC ACID	A,B,C	2B7P	0.76
PHT	PHTHALIC ACID	A	3C2V	0.76
PHT	PHTHALIC ACID	A,B,C,D,E,F	1QPR	0.76
PHT	PHTHALIC ACID	A,B	3C2R	0.76
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.75
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.75
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.75
SDT	3,4-dihydroxy-9,10-secoandrosta- 1(10),2,4-triene-9,17-dione	A,B	2ZI8	0.74
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.78
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.78
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.8
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.8
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BV0	0.74
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B,D,F,H,J,L	1YKP	0.74
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1N8Q	0.74
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B	2BSL	0.74
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKL	0.74
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D	1B4U	0.74
DHB	3,4-DIHYDROXYBENZOIC ACID	A	3DX5	0.74
DHB	3,4-DIHYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCA	0.74
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKN	0.74
DHB	3,4-DIHYDROXYBENZOIC ACID	B	1EOB	0.74
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1PHH	0.74
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BUV	0.74
NP5	(5E)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWU	0.71
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.72
PMA	PYROMELLITIC ACID	A,B	1FUP	0.75
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.71
2LP	2-ALLYLPHENOL	A	1OV5	0.71
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.73
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.73
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.73
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.73
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.73
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.73
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	0.74
TOH	(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID	A	2IME	0.74
TOH	(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID	A	2IMD	0.74
3CA		A,B	2B77	0.73
BHC	BENZENE HEXACARBOXYLIC ACID	A,B,C,D	1BQ4	0.7
DB1	2,3-DIHYDROXYBENZAMIDE	A,B,C	1X71	0.72
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
EQI	EQUILIN	A,B	1EQU	0.72
AKV	{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE	A,B,C,D	2F99	0.74
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.73
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.74
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.74
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
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RH4	0.79
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	3CSD	0.79
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHR	0.79
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	1F0Q	0.79
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3C13	0.79
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHC	0.79
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3BQC	0.79
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B	2TPL	0.75
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B,C,D	3GGP	0.75
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.78
FLV	FLAVIOLIN	A	1ZDW	0.8
FLV	FLAVIOLIN	A	1T93	0.8
FLV	FLAVIOLIN	A	2D09	0.8
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	0.74
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.7
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	0.74
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	0.74
219	CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4I	0.72
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.78
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	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
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.7
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.7
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
BPY	BIPHENYL-2,3-DIOL	A	1KMY	0.71
BPY	BIPHENYL-2,3-DIOL	B	1KW8	0.71
BPY	BIPHENYL-2,3-DIOL	A	2EI3	0.71
BPY	BIPHENYL-2,3-DIOL	A	1EIR	0.71
BPY	BIPHENYL-2,3-DIOL	B	1KW6	0.71
BPY	BIPHENYL-2,3-DIOL	B	1KWC	0.71
BPY	BIPHENYL-2,3-DIOL	B	1KW9	0.71
OMD	2-(3,6-DIHYDROXYPHENYL)ACETIC ACID	A,B	1AJP	0.8
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	H,I	1A2C	0.76
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C	1CA7	0.76
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C,D	3GGO	0.76
BHQ	2,5-DITERT-BUTYLBENZENE-1,4-DIOL	A,B	2AGV	0.74
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.76
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.76
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.76
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.76
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.76
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.71
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.71
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.7
299	2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4E	0.73
262	2-FORMYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4D	0.73
AZN	ALIZARIN RED	H,I,J,K,L,M, N,O	1OAR	0.71
ADL	(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID	A,B	1N5S	0.83
HHH	(2S)-hydroxy(4-hydroxyphenyl)ethanoic acid	A,B	2R5V	0.7
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	0.83
2HC	(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID	A,B	1V5Z	0.72
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.72
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.72
VII	2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID	A,B	2GFK	0.71
NP4	(5Z)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWS	0.71
FHI		A,B	1Y1D	0.74
NOM	7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO- 1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE- 2,6,11-TRIONE	A	1N5V	0.74
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.72
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
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.7
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.79
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.7
MUF	(8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid	A,B	3BEJ	0.7
3HP	3-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCE	0.75
SDN	[(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid	A,B	3B6C	0.77
P2N	(5Z)-13-CHLORO-14,16-DIHYDROXY- 3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE- 1,11(12H)-DIONE	A	2CGF	0.71
SGI	3-(4-hydroxyphenyl)propanamide	A,B	2R9K	0.7
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.71
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.71
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.71
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.71
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.71
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.8
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.8
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B	1D83	0.75
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B	1EKH	0.75
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B	1EKI	0.75
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	0.75
1NP	1-NAPHTHOL	X	2ZVQ	0.7
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.78