MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02330948

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
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.71
HIB	4-HYDROXY-5-IODO-2,3-DIMETHOXY- 6-METHYLBENZOIC ACID	A	2PIK	0.75
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.77
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.77
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.71
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D,E,F	3BXX	0.71
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	2O3P	0.71
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B	2UXH	0.71
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	1GP6	0.71
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	2C9Z	0.71
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D,E,F, G,H,I,J,K,L, M,N	2JJ2	0.71
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	3BPT	0.71
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D,E,F	3CF8	0.71
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B	2HCK	0.71
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D	1H1I	0.71
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	1E8W	0.71
MAX	MATAIRESINOL	A	2BGM	0.76
BHF	2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE	A	2HI4	0.72
BYS	2-BENZO[1,3]DIOXOL-5-YLMETHYL-3- BENZYL-SUCCINIC ACID	A,B	1JJE	0.74
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.72
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.72
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.72
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.72
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.72
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.72
EUG	2-METHOXY-4-VINYL-PHENOL	A	2QU9	0.75
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1QLU	0.75
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1J	0.75
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	2VAO	0.75
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1K	0.75
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1DZN	0.75
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1L	0.75
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1M	0.75
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.8
BDS	2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL- SUCCINIC ACID	A,B	1JJT	0.73
397	2-(4-HYDROXY-PHENYL)BENZOFURAN- 5-OL	A,B	1U9E	0.71
MYU	3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2O64	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.71
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.71
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.71
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.71
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.71
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.71
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.71
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.71
SB8	2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE	A	2AIA	0.71
CIO	CILOMILAST	A,B	1XOM	0.72
CIO	CILOMILAST	A,B	1XLX	0.72
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.72
ERD	(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7- DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN- 4-ONE	D,F	2NNL	0.71
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	0.74
TON	2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL	A,B	1SEZ	0.72
SYR	SYRINGATE	A,B	1WB5	0.82
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3B3K	0.71
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3D6D	0.71
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.73
TDS	8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE	A,B,C,D,L,R	1Q90	0.76
TDS	8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE	A,B,C,D,G	2E76	0.76
TDS	8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE	A,B,C,D,E,N, O,P,Q,R	1VF5	0.76
VXX	VANILLATE	A,B	1WB6	0.84
NCZ	2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER	A	1J5I	0.72
MYC	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A,B,C,D	3C1T	0.71
MYC	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2O63	0.71
MYC	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	1E90	0.71
MYC	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A,B,C,D	2IOD	0.71
300	2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE	A	1O41	0.81
TRT	FRAGMENT OF TRITON X-100	A,E	2I0U	0.73
TRT	FRAGMENT OF TRITON X-100	A,B	1OIZ	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BV0	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B,D,F,H,J,L	1YKP	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1N8Q	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B	2BSL	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKL	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D	1B4U	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	A	3DX5	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCA	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKN	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	B	1EOB	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1PHH	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BUV	0.73
E20	1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE	A	1EVE	0.78
ZHZ	2-(4-METHOXYPHENYL)ACETAMIDE	D,H	2HKR	0.74
SXX	SINAPINATE	A,B	1WB4	0.73
REF	2,3,7,8-tetrahydroxychromeno[5,4,3- cde]chromene-5,10-dione	A	2ZJW	0.72
SIG	STIGMATELLIN	C,D,E	2BCC	0.76
SIG	STIGMATELLIN	C,D,E	3BCC	0.76
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.77
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.77
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.7
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.83
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,C,E	1KYZ	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1JT2	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	6ATJ	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1GKL	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GWT	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B,C	2BJH	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GW2	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	3CBG	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	2BNJ	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1UWC	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	7ATJ	0.77
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.73
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.7
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.86
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.86
8MO	METHOXSALEN	A,B,C,D	1Z11	0.7
DH2	(2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	A	1GP5	0.7
DH2	(2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	A	1GP6	0.7
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.71
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.71
4FE	(2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid	A	3CBG	0.77
FLV	FLAVIOLIN	A	1ZDW	0.7
FLV	FLAVIOLIN	A	1T93	0.7
FLV	FLAVIOLIN	A	2D09	0.7
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.75
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	0.75
8PS	5-OCTYL-2-PHENOXYPHENOL	A,B,C,D,E,F	2B37	0.72
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.83
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.83
5PP	5-PENTYL-2-PHENOXYPHENOL	A,B,C,D,E,F	2B36	0.72
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
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	0.76
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.72
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.73
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.73
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.73
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.73
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.73
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.73
HWG	N-(TERT-BUTYL)-3,5-DIMETHYL-N'- [(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN- 6-YL)CARBONYL]BENZOHYDRAZIDE	A,D	1R20	0.7
GEN	GENISTEIN	A	1QKM	0.73
GEN	GENISTEIN	A,B	1X7J	0.73
GEN	GENISTEIN	A,B	2QA8	0.73
GEN	GENISTEIN	A	1X7R	0.73
MYF	5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2O65	0.73
MGI	methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate	A	2ZA0	0.77
EAA	ETHACRYNIC ACID	A,B	3DGQ	0.7
EAA	ETHACRYNIC ACID	A,B	11GS	0.7
EAA	ETHACRYNIC ACID	A,B,C,D	1GSF	0.7
EAA	ETHACRYNIC ACID	A,B	2GSS	0.7
EAA	ETHACRYNIC ACID	A,B	3GSS	0.7
EAA	ETHACRYNIC ACID	A,B	1GSE	0.7
BZF	BENZOFURAN	A	182L	0.73
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	0.71
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.75
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2QZZ	0.78
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2R2G	0.78
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.72
FC3	5-[2-(TRIFLUOROMETHYL)PHENYL]-2- FUROIC ACID	A	2EVC	0.71
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
FSE	3,7,3',4'-TETRAHYDROXYFLAVONE	B	1XO2	0.72
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.73
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
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.76
SMA	STIGMATELLIN A	A,C,D,E,N,P, Q,R	3H1I	0.74
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,O,P,Q,R,S,T	1PPJ	0.74
SMA	STIGMATELLIN A	A,C,D,E,L,N, O,P,W	3CXH	0.74
SMA	STIGMATELLIN A	C,D,E,P,Q,R	1ZRT	0.74
SMA	STIGMATELLIN A	C,H,L,M	2JBL	0.74
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,I,N,O,P,Q, R,S,T,U,V,W	2A06	0.74
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,H,I,J,K,L	2QJP	0.74
SMA	STIGMATELLIN A	A,C,D,E	1KB9	0.74
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R	2QJK	0.74
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,N,O,P,Q,R, S,T	1PP9	0.74
SMA	STIGMATELLIN A	C,D,E	2IBZ	0.74
SMA	STIGMATELLIN A	A,C,D,E,L,N, O,P,W	3CX5	0.74
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R	2FYN	0.74
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R	2QJY	0.74
SMA	STIGMATELLIN A	C,D,E	1EZV	0.74
SMA	STIGMATELLIN A	C,D,E,N,O,P,W	1KYO	0.74
SMA	STIGMATELLIN A	A,C,D,E,G,N, P,Q,R,S	3H1J	0.74
SMA	STIGMATELLIN A	C,D,E	1SQX	0.74
DQH	(2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	A	1GP5	0.7
DQH	(2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	D,F	2C29	0.7