MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00831206

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
0PA	cyclopentylacetic acid	A,B	3DWR	0.76
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OT7	0.7
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OSV	0.7
PAY	OCTANE-1,3,5,7-TETRACARBOXYLIC ACID	A,B	2V77	0.85
JN3	CHENODEOXYCHOLIC ACID	A	2JN3	0.7
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1IHI	0.7
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1OT7	0.7
2PP	2-PROPYL-PENTANOIC ACID	P	1DIT	0.71
CHD	CHOLIC ACID	A,B	2PNJ	0.7
CHD	CHOLIC ACID	A,B	1HRK	0.7
CHD	CHOLIC ACID	A,B	2PO7	0.7
CHD	CHOLIC ACID	A	2QO6	0.7
CHD	CHOLIC ACID	A,B,C,E,F,G, I,J,M,N,O,P, Q,S,T,V,W,Z	1V55	0.7
CHD	CHOLIC ACID	A	2AZY	0.7
CHD	CHOLIC ACID	A,B,C	2DQY	0.7
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Y,Z	2EIN	0.7
CHD	CHOLIC ACID	A,B,C,F,G,I, J,L,M,N,O,P, S,T,V,W,Z	2EIJ	0.7
CHD	CHOLIC ACID	A,B,C,D	2QD1	0.7
CHD	CHOLIC ACID	A	2FT9	0.7
CHD	CHOLIC ACID	A,B	2HRC	0.7
CHD	CHOLIC ACID	A,B	1TW4	0.7
CHD	CHOLIC ACID	A,B	2QD3	0.7
CHD	CHOLIC ACID	A,B,C,D,E,F, G,I,J,L,M,N, O,P,Q,S,T,V, W,Z	1V54	0.7
CHD	CHOLIC ACID	A	2RLC	0.7
CHD	CHOLIC ACID	A,B	1ON5	0.7
CHD	CHOLIC ACID	A,B,C,D,F,G, J,L,M,N,O,P, S,T,W,Z	2ZXW	0.7
CHD	CHOLIC ACID	A,B	2QD4	0.7
CHD	CHOLIC ACID	A	2QO5	0.7
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z	2DYS	0.7
CHD	CHOLIC ACID	A,B	2QD2	0.7
CHD	CHOLIC ACID	A,B,C	3ELZ	0.7
CHD	CHOLIC ACID	A,B	2PO5	0.7
CHD	CHOLIC ACID	A,B	1S9Q	0.7
CHD	CHOLIC ACID	A,B	1EE2	0.7
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z	2DYR	0.7
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z	2EIM	0.7
CHD	CHOLIC ACID	A,B,C,D	2HRE	0.7
CHD	CHOLIC ACID	A,B	2QD5	0.7
CHD	CHOLIC ACID	A,B	3EM0	0.7
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z	2EIL	0.7
CHD	CHOLIC ACID	A	2QO4	0.7
CHD	CHOLIC ACID	A,B,C,E,F,G, I,J,L,M,N,O, P,Q,S,T,V,W, Y,Z	2EIK	0.7
HCT	(2R)-butane-1,2,4-tricarboxylic acid	A,B,C	3DP8	0.7
HCT	(2R)-butane-1,2,4-tricarboxylic acid	A,B,C	3E3K	0.7
CAX	(2S,4S)-4-(2,2-DIHYDROXYETHYL)- 2,3,3-TRIMETHYLCYCLOPENTANONE	A,B,C,D,E,F, G,H,I,J,K,L	1SZO	0.76
KTA	(S)-CYCLOHEXANONE-2-ACETATE	A,B	2J5S	0.7
3PA	3-CYCLOPENTYL-PROPIONIC ACID	C	1FAV	0.77
CAH	5-EXO-HYDROXYCAMPHOR	A	1NOO	0.7
LNG	12-METHYLTRIDECANOIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W3M	0.77
CCM	1-METHYL-1-CARBOXY-CYCLOPENTANE	A	1THL	0.75
CXP	CYCLOHEXANE PROPIONIC ACID	A,B	2AY2	0.72