MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02440882

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
CLR	CHOLESTEROL	A,B	2ZXE	0.73
CLR	CHOLESTEROL	A	1N83	0.73
CLR	CHOLESTEROL	A	2RH1	0.73
CLR	CHOLESTEROL	A	1LRI	0.73
CLR	CHOLESTEROL	A	1ZHY	0.73
CLR	CHOLESTEROL	A	3D4S	0.73
OLA	OLEIC ACID	A	1VYF	0.71
OLA	OLEIC ACID	A	2EV4	0.71
OLA	OLEIC ACID	A	1FK5	0.71
OLA	OLEIC ACID	A	1FE3	0.71
OLA	OLEIC ACID	A,B	2AG4	0.71
OLA	OLEIC ACID	A,B	1J78	0.71
OLA	OLEIC ACID	A	2E9L	0.71
OLA	OLEIC ACID	A,B	2EV1	0.71
OLA	OLEIC ACID	A	1GNI	0.71
OLA	OLEIC ACID	A	1SX6	0.71
OLA	OLEIC ACID	A	2E9M	0.71
OLA	OLEIC ACID	A	2FLJ	0.71
OLA	OLEIC ACID	A	2ZOX	0.71
OLA	OLEIC ACID	A	2AF9	0.71
OLA	OLEIC ACID	A,B,C	2AG2	0.71
OLA	OLEIC ACID	A	2JU8	0.71
OLA	OLEIC ACID	A,B	1GT6	0.71
OLA	OLEIC ACID	A,B,C	1PMP	0.71
OLA	OLEIC ACID	A,B	1DKF	0.71
OLA	OLEIC ACID	A	1ICN	0.71
OLA	OLEIC ACID	A	1G74	0.71
OLA	OLEIC ACID	A,B	1J7E	0.71
OLA	OLEIC ACID	A	1LFO	0.71
OLA	OLEIC ACID	A	1HMS	0.71
OLA	OLEIC ACID	A	2EV3	0.71
OLA	OLEIC ACID	A	2EV2	0.71
OLA	OLEIC ACID	A	2FTB	0.71
OLA	OLEIC ACID	A	1LID	0.71
LAN	LANOSTEROL	A	1W6K	0.71
1CA	DESOXYCORTICOSTERONE	A,B	1Y9R	0.78
1CA	DESOXYCORTICOSTERONE	A,B,C	2ABI	0.78
1CA	DESOXYCORTICOSTERONE	A	2Q3Y	0.78
1CA	DESOXYCORTICOSTERONE	A	2AA7	0.78
CLL	CHOLESTERYL LINOLEATE	A,B	1CLE	0.8
SIM	SIMVASTATIN	A,B,C,D	1HW9	0.74
17H	17-HYDROXY-18A-HOMO-19-NOR-17ALPHA- PREGNA-4,9,11-TRIEN-3-ONE	A	2AMB	0.75
803	LOVASTATIN	A,B	1CQP	0.74
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPG	0.79
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPJ	0.79
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPF	0.79
ELA	9-OCTADECENOIC ACID	A	1HMR	0.71
NER	(15E)-TETRACOS-15-ENOIC ACID	A	2EUK	0.71
EIC	LINOLEIC ACID	A	2Q9S	0.71
EIC	LINOLEIC ACID	A	2EVL	0.71
EIC	LINOLEIC ACID	A	1IGZ	0.71
CBO	CARBENOXOLONE	A,B,C,D	1HDC	0.78
CBO	CARBENOXOLONE	A,B,C,D	2BEL	0.78
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A,B	1E3R	0.81
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	3DHE	0.81
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1J99	0.81
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1COY	0.81
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1Q22	0.81
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.82
ASD	4-ANDROSTENE-3-17-DIONE	A,B	3CAS	0.71
ASD	4-ANDROSTENE-3-17-DIONE	A	1QYX	0.71
ASD	4-ANDROSTENE-3-17-DIONE	A,B,C,D	2VCT	0.71
ASD	4-ANDROSTENE-3-17-DIONE	A	1EUP	0.71
ASD	4-ANDROSTENE-3-17-DIONE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	2VCV	0.71
ASD	4-ANDROSTENE-3-17-DIONE	A	3EQM	0.71
ASD	4-ANDROSTENE-3-17-DIONE	A	1XF0	0.71
GR3	3-ACETOXY-17-(1-FORMYL-5-METHYL- 3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14- TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17- TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE- 4-CARBOXYLIC ACID	B,D	1AWH	0.73
MVB	(1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO- 7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO- 4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]- 1-NAPHTHALENOL	A,B,C	1YA8	0.72
LVA	(3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6- DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}- 1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN- 1-YL)-3,5-DIHYDROXYHEPTANOIC ACID	A,B	1T02	0.72
114	COMPACTIN	A,B,C,D	1HW8	0.72
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.83
NDR	(14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one	A,B	1SQN	0.78
NDR	(14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one	A,B	2W8Y	0.78
NTH	SUCCINIC ACID MONO-(13-METHYL-3- OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17- TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN- 17-YL) ESTER	A,B	1BUQ	0.78
NOG	13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE	A	1LHV	0.78
NOG	13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE	A,B	3D90	0.78
2OB	CHOLESTERYL OLEATE	A	2OBD	0.8
VTQ	RRR-ALPHA-TOCOPHERYLQUINONE	A,C,E	1OLM	0.71
VCA	VACCENIC ACID	A,B	2BAW	0.71
VCA	VACCENIC ACID	A,B	2B50	0.71
VCA	VACCENIC ACID	B	2ACO	0.71
VCA	VACCENIC ACID	A,B	2AWH	0.71
LAX	EICOSA-8,11,14-TRIENOIC ACID	A	1FE2	0.71
STR	PROGESTERONE	A	1H60	0.71
STR	PROGESTERONE	A,B,C	1YA3	0.71
STR	PROGESTERONE	A,B	2AA6	0.71
STR	PROGESTERONE	A	1MRQ	0.71
STR	PROGESTERONE	A,B	1A28	0.71
STR	PROGESTERONE	A,B	2AA5	0.71
STR	PROGESTERONE	A	2HZQ	0.71
STR	PROGESTERONE	A	1W0F	0.71
STR	PROGESTERONE	A	2ABA	0.71
STR	PROGESTERONE	A,B	3COT	0.71
STR	PROGESTERONE	H	1DBB	0.71
STR	PROGESTERONE	H,L	2O5Y	0.71
HYF	4-HYDROXY-5-ISOBUTYRYL-6-METHYL- 1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)- 6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON- 3-ENE-2,9-DIONE	A	1M13	0.72
TES	TESTOSTERONE	A	1JTV	0.79
TES	TESTOSTERONE	A	2Q7L	0.79
TES	TESTOSTERONE	A	2Q7I	0.79
TES	TESTOSTERONE	A,B	1J96	0.79
TES	TESTOSTERONE	A	2Q7K	0.79
TES	TESTOSTERONE	A,B	1Q13	0.79
TES	TESTOSTERONE	H	1I9J	0.79
TES	TESTOSTERONE	A,B	1AFS	0.79
TES	TESTOSTERONE	H	1VPO	0.79
TES	TESTOSTERONE	A	2Q7J	0.79
TES	TESTOSTERONE	A,B	3BUR	0.79
TES	TESTOSTERONE	A	2AM9	0.79
C0R	CORTICOSTERONE	A	2A3I	0.74
C0R	CORTICOSTERONE	A,B	1Y5R	0.74
ZK5	9ALPHA-FLUOROCORTISOL	A	1GS4	0.7
SIH	PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE	H	1DBM	0.77
HCR	7-HYDROXYCHOLESTEROL	A	1ZHT	0.72
OPD	9R,13R-12-OXOPHYTODIENOIC ACID	A,B	1ICQ	0.72
0AS	asiatic acid	A	2QN1	0.82
DL4	(14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid	A	3GYT	0.87
HC3	25-HYDROXYCHOLESTEROL	A	1ZHX	0.73
HC2	20-HYDROXYCHOLESTEROL	A	1ZHW	0.73
AS4	ALDOSTERONE	A	2AA2	0.71
AS4	ALDOSTERONE	A	2Q1H	0.71
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1E3G	0.75
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A,B	1E3K	0.75
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	2AO6	0.75
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1XOW	0.75
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1XQ3	0.75
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A,B	2VDY	0.72
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A	2V95	0.72
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EAU	0.7
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB3	0.7
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB4	0.7
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	2AAX	0.7
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	1H61	0.7
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	3CMF	0.7
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	2Q1V	0.7
0MA	maslinic acid	A	2QN2	0.82
ERG	ERGOSTEROL	A	1BXM	0.7
ERG	ERGOSTEROL	A	1ZHZ	0.7
ERG	ERGOSTEROL	A,B	2AIB	0.7
DL7	(5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid	A	3GYU	0.91
TH2	TESTOSTERONE HEMISUCCINATE	A,B	2CBT	0.79
TH2	TESTOSTERONE HEMISUCCINATE	A,B,C,D,E,F	2CBQ	0.79
TH2	TESTOSTERONE HEMISUCCINATE	A	2CBO	0.79