MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03090345

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
TWN	(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN- 2-YL]BUTYL LAURATE	A,B	2IVD	0.7
TWN	(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN- 2-YL]BUTYL LAURATE	A,B	2IVE	0.7
L2C	(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE	A,C	2HVK	0.72
L2C	(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE	A,C	2DWD	0.72
L2C	(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE	C	2DWE	0.72
L2C	(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE	A,C	2HVJ	0.72
ERY	ERYTHROMYCIN A	A,B	2IYF	0.71
ERY	ERYTHROMYCIN A	A,B	3FRQ	0.71
ERY	ERYTHROMYCIN A	0,1,2,3,9,A, B,C,H,J,K,L, M,N,O,Q,R,S, T,U,Y,Z	1YI2	0.71
ERY	ERYTHROMYCIN A	A,B	2J0D	0.71
ERY	ERYTHROMYCIN A	A	1JZY	0.71
DGA	DIACYL GLYCEROL	A,C	2NLJ	0.71
DGA	DIACYL GLYCEROL	A,C	1ZWI	0.71
DGA	DIACYL GLYCEROL	B,C	1R3J	0.71
DGA	DIACYL GLYCEROL	C	1K4D	0.71
DGA	DIACYL GLYCEROL	A,C	1K4C	0.71
DGA	DIACYL GLYCEROL	C	1R3K	0.71
DGA	DIACYL GLYCEROL	B,C	1S5H	0.71
DGA	DIACYL GLYCEROL	C,H	1R3I	0.71
DGA	DIACYL GLYCEROL	B,C	1R3L	0.71
DGG	1-[GLYCEROLYLPHOSPHONYL]-2-[8-(2- HEXYL-CYCLOPROPYL)-OCTANAL-1-YL]- 3-[HEXADECANAL-1-YL]-GLYCEROL	A,B	1CQX	0.71
FOK	FORSKOLIN	A,C	3C16	0.72
FOK	FORSKOLIN	A,C	1CJU	0.72
FOK	FORSKOLIN	A,C	1TL7	0.72
FOK	FORSKOLIN	A,B	1AB8	0.72
FOK	FORSKOLIN	A,C	3C14	0.72
FOK	FORSKOLIN	A,C	1CJT	0.72
FOK	FORSKOLIN	A,B,C	1CUL	0.72
FOK	FORSKOLIN	A,C	1CJV	0.72
FOK	FORSKOLIN	A,C	3C15	0.72
FOK	FORSKOLIN	A,C	1U0H	0.72
FOK	FORSKOLIN	A,B,C	1CS4	0.72
FOK	FORSKOLIN	A,C	1CJK	0.72
E7B		A,B	3E7B	0.71
13T	13-DEOXYTEDANOLIDE	0,1,3,9,A,B, C,H,J,K,L,M, N,O,Q,R,S,T, U,Y,Z	2OTJ	0.72
DQA	1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACID	A	1J2Y	0.78
LIL	2-TRIDECANOYLOXY-PENTADECANOIC ACID	A	2FCP	0.72
LIL	2-TRIDECANOYLOXY-PENTADECANOIC ACID	A	1FCP	0.72
DEB	6-DEOXYERYTHRONOLIDE B	A	1Z8P	0.91
DEB	6-DEOXYERYTHRONOLIDE B	A	1JIO	0.91
DEB	6-DEOXYERYTHRONOLIDE B	A	1Z8Q	0.91
DEB	6-DEOXYERYTHRONOLIDE B	A	1OXA	0.91
DEB	6-DEOXYERYTHRONOLIDE B	A	1Z8O	0.91
F24	(3R,5S,7R,12S,13R)-13-FORMYL-12,14- DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID	A	2F9A	0.78
DDR	(2S)-3-hydroxypropane-1,2-diyl didecanoate	A	2Z9Y	0.72
DDR	(2S)-3-hydroxypropane-1,2-diyl didecanoate	A	2Z9Z	0.72
1EM	(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE	C	2IH1	0.72
1EM	(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE	C	2IH3	0.72
1EM	(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATE	A,C	2P7T	0.72
CTY	CLARITHROMYCIN	A	1J5A	0.71
CRB	[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1XAI	0.71
CRB	[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1NVD	0.71
CRB	[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID	A	1XAG	0.71
CRB	[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1NR5	0.71
CRB	[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1XAJ	0.71
CRB	[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1XAL	0.71
CRB	[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1DQS	0.71
CRB	[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B	1NVB	0.71
CRB	[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]- 5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE- 1-CARBOXYLIC ACID	A,B,C	1NVF	0.71
B3H	(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE	C,D	2HFE	0.71
B3H	(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE	C,D	2H8P	0.71
B3H	(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATE	C,D	2HG5	0.71