MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00487569

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	0.76
L41	{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid	A,B	3D5F	0.73
244	[5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE	A,B	1X78	0.82
244	[5-HYDROXY-2-(4-HYDROXYPHENYL)- 1-BENZOFURAN-7-YL]ACETONITRILE	A,B	1X7E	0.82
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
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	0.7
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	0.73
NCZ	2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER	A	1J5I	0.73
892	3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)- 2-ETHYL-BENZOFURAN-6-SULFONIC ACID (4- SULFAMOYL-PHENYL)-AMIDE	A	1T49	0.71
R17	ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE	A,B,C	1O6Q	0.8
MOA	MYCOPHENOLIC ACID	A	1ME7	0.72
MOA	MYCOPHENOLIC ACID	A,B	1JR1	0.72
MOA	MYCOPHENOLIC ACID	A	1MEI	0.72
MOA	MYCOPHENOLIC ACID	A	1MEH	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
697	5-HYDROXY-2-(4-HYDROXYPHENYL)-1- BENZOFURAN-7-CARBONITRILE	A,B	1X76	0.82
A04	5-[2-(TRIFLUOROMETHOXY)PHENYL]- 2-FUROIC ACID	A	2Q94	0.71
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.71
VII	2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID	A,B	2GFK	0.77
FL8	6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE	B,C	1KGJ	0.82
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.7
FL9		A,B	1THC	0.81
SAK	(2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one	A,B,C,D,E,F	3D04	0.74
BHF	2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE	A	2HI4	0.71
FSE	3,7,3',4'-TETRAHYDROXYFLAVONE	B	1XO2	0.73
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D,E,F	3BXX	0.72
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	2O3P	0.72
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B	2UXH	0.72
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	1GP6	0.72
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	2C9Z	0.72
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D,E,F, G,H,I,J,K,L, M,N	2JJ2	0.72
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	3BPT	0.72
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D,E,F	3CF8	0.72
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B	2HCK	0.72
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D	1H1I	0.72
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	1E8W	0.72
DZN	DAIDZIN	A,B,C,D,E,F, G,H	2VLE	0.7
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.74
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.77
GEN	GENISTEIN	A	1QKM	0.75
GEN	GENISTEIN	A,B	1X7J	0.75
GEN	GENISTEIN	A,B	2QA8	0.75
GEN	GENISTEIN	A	1X7R	0.75
DQH	(2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	A	1GP5	0.73
DQH	(2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	D,F	2C29	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	0.73
ERD	(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7- DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN- 4-ONE	D,F	2NNL	0.74
397	2-(4-HYDROXY-PHENYL)BENZOFURAN- 5-OL	A,B	1U9E	0.86
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	0.71
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.72
2HI	(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-4H-CHROMEN-4-ONE	A	1ZG3	0.74
NOM	7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO- 1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE- 2,6,11-TRIONE	A	1N5V	0.7
SMA	STIGMATELLIN A	A,C,D,E,N,P, Q,R	3H1I	0.72
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,O,P,Q,R,S,T	1PPJ	0.72
SMA	STIGMATELLIN A	A,C,D,E,L,N, O,P,W	3CXH	0.72
SMA	STIGMATELLIN A	C,D,E,P,Q,R	1ZRT	0.72
SMA	STIGMATELLIN A	C,H,L,M	2JBL	0.72
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,I,N,O,P,Q, R,S,T,U,V,W	2A06	0.72
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,H,I,J,K,L	2QJP	0.72
SMA	STIGMATELLIN A	A,C,D,E	1KB9	0.72
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R	2QJK	0.72
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,N,O,P,Q,R, S,T	1PP9	0.72
SMA	STIGMATELLIN A	C,D,E	2IBZ	0.72
SMA	STIGMATELLIN A	A,C,D,E,L,N, O,P,W	3CX5	0.72
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R	2FYN	0.72
SMA	STIGMATELLIN A	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P,Q,R	2QJY	0.72
SMA	STIGMATELLIN A	C,D,E	1EZV	0.72
SMA	STIGMATELLIN A	C,D,E,N,O,P,W	1KYO	0.72
SMA	STIGMATELLIN A	A,C,D,E,G,N, P,Q,R,S	3H1J	0.72
SMA	STIGMATELLIN A	C,D,E	1SQX	0.72
OEF	3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID	A	2J4A	0.74
BB3	3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)- 2-ETHYL-BENZOFURAN-6-SULFONIC ACID DIMETHYLAMIDE	A	1T48	0.8
8MO	METHOXSALEN	A,B,C,D	1Z11	0.73
R19	ALLYL-{6-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-HEXYL-}-METHYL-AMIN	A,B,C	1O6R	0.79
SIG	STIGMATELLIN	C,D,E	2BCC	0.72
SIG	STIGMATELLIN	C,D,E	3BCC	0.72
DH2	(2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	A	1GP5	0.73
DH2	(2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	A	1GP6	0.73
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.74
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	A,B	1FHY	0.78
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	B	204D	0.78
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	A,B	2B2B	0.78
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	B	1FHZ	0.78
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	A	203D	0.78
MYF	5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2O65	0.72
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.73
TDS	8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE	A,B,C,D,L,R	1Q90	0.7
TDS	8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE	A,B,C,D,G	2E76	0.7
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	0.7
DBF	DIBENZOFURAN-4,6-DICARBOXYLIC ACID	B	1DVU	0.78
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A,B,C,D	1H1M	0.73
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2C1Z	0.73
MYU	3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2O64	0.73
BZF	BENZOFURAN	A	182L	0.74
MGI	methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate	A	2ZA0	0.7
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	B,C	1JX1	0.75
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1JX0	0.75
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1FM7	0.75
NAR	NARINGENIN	A,B	2UXU	0.75
NAR	NARINGENIN	A	2BRT	0.75
NAR	NARINGENIN	A	1CGK	0.75
NAR	NARINGENIN	A,B	1EYQ	0.75