MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02219222

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
3PA	3-CYCLOPENTYL-PROPIONIC ACID	C	1FAV	0.71
F15	PENTADECANOIC ACID	A,C,D	1XVP	0.71
F15	PENTADECANOIC ACID	A,C,D	1XV9	0.71
SMB	2-METHYLBUTANOIC ACID	A,B,C	1YA8	0.7
SMB	2-METHYLBUTANOIC ACID	A	1UKA	0.7
LEA	LEVULINIC ACID	P	1VWR	0.75
LEA	LEVULINIC ACID	M,P	1VWJ	0.75
LEA	LEVULINIC ACID	A,B	1W1Z	0.75
LEA	LEVULINIC ACID	A,B	1B4K	0.75
LEA	LEVULINIC ACID	M,P	1VWK	0.75
LEA	LEVULINIC ACID	P	1VWQ	0.75
LEA	LEVULINIC ACID	A	1UK8	0.75
LEA	LEVULINIC ACID	M,P	1VWL	0.75
LEA	LEVULINIC ACID	M,P	1VWI	0.75
LEA	LEVULINIC ACID	A	1B4E	0.75
IVA	ISOVALERIC ACID	A	1YOO	0.7
IVA	ISOVALERIC ACID	E,I	4ER2	0.7
IVA	ISOVALERIC ACID	E,I	1APU	0.7
IVA	ISOVALERIC ACID	E,I	1APW	0.7
IVA	ISOVALERIC ACID	E,I	1APT	0.7
IVA	ISOVALERIC ACID	A	2D5Y	0.7
IVA	ISOVALERIC ACID	A,I	1GA4	0.7
IVA	ISOVALERIC ACID	E,I	1PPK	0.7
IVA	ISOVALERIC ACID	A,B,C,D	1QS8	0.7
IVA	ISOVALERIC ACID	A,B,C	1NLU	0.7
IVA	ISOVALERIC ACID	A,B	2RMP	0.7
IVA	ISOVALERIC ACID	A,B	1KE1	0.7
IVA	ISOVALERIC ACID	E,I	1PPL	0.7
IVA	ISOVALERIC ACID	A,B,C,D,I,J	1LYB	0.7
IVA	ISOVALERIC ACID	A	2D64	0.7
IVA	ISOVALERIC ACID	I	2ER0	0.7
IVA	ISOVALERIC ACID	I	1QRP	0.7
IVA	ISOVALERIC ACID	E,I	1APV	0.7
IVA	ISOVALERIC ACID	A,B	1KDZ	0.7
IVA	ISOVALERIC ACID	A	1UK9	0.7
IVA	ISOVALERIC ACID	A,I	1WKR	0.7
IVA	ISOVALERIC ACID	A,I	3FNT	0.7
IVA	ISOVALERIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	3FV3	0.7
IVA	ISOVALERIC ACID	I	1PSO	0.7
IVA	ISOVALERIC ACID	I	6APR	0.7
IVA	ISOVALERIC ACID	A	2D63	0.7
DKA	DECANOIC ACID	A	1TFJ	0.71
DKA	DECANOIC ACID	A	1WBE	0.71
DKA	DECANOIC ACID	A	1E7E	0.71
DKA	DECANOIC ACID	A	1XT7	0.71
DKA	DECANOIC ACID	A	1W66	0.71
DKA	DECANOIC ACID	A,B,C,D	1F91	0.71
DKA	DECANOIC ACID	A	1T5N	0.71
DKA	DECANOIC ACID	A,B,C,D,E,F, G,H,J,K,L,M, N,P,Q,R	1P8J	0.71
DKA	DECANOIC ACID	A	3DFK	0.71
DKA	DECANOIC ACID	A	2VDB	0.71
DKA	DECANOIC ACID	A	2FVF	0.71
DKA	DECANOIC ACID	A,B,C,D	1GXS	0.71
DKA	DECANOIC ACID	A	1T5M	0.71
DKA	DECANOIC ACID	A	1FK0	0.71
DKA	DECANOIC ACID	A	1TF0	0.71
LML	ISOBUTYL MALONIC ACID	A	1BFW	0.71
0PA	cyclopentylacetic acid	A,B	3DWR	0.7
GVM	(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACID	A,B	2UW1	0.74
CXP	CYCLOHEXANE PROPIONIC ACID	A,B	2AY2	0.73
TDA	N-TRIDECANOIC ACID	A,B	1TP2	0.71
TDA	N-TRIDECANOIC ACID	A,B	1QLL	0.71
TDA	N-TRIDECANOIC ACID	A	1TC8	0.71
2PP	2-PROPYL-PENTANOIC ACID	P	1DIT	0.89
DAO	LAURIC ACID	A,B	2B5S	0.71
DAO	LAURIC ACID	1,5	1V9U	0.71
DAO	LAURIC ACID	A	2AF9	0.71
DAO	LAURIC ACID	A	2GFY	0.71
DAO	LAURIC ACID	A	2GMC	0.71
DAO	LAURIC ACID	1	1FPN	0.71
DAO	LAURIC ACID	A	1QFF	0.71
DAO	LAURIC ACID	A,B	1MA0	0.71
DAO	LAURIC ACID	A,B,C	1TJJ	0.71
DAO	LAURIC ACID	A	2AGC	0.71
DAO	LAURIC ACID	1,4	1AYM	0.71
DAO	LAURIC ACID	1,4	1AYN	0.71
DAO	LAURIC ACID	A,B,C,D	2BZ3	0.71
DAO	LAURIC ACID	A	2OVD	0.71
DAO	LAURIC ACID	A,B	2ALG	0.71
DAO	LAURIC ACID	A,B,C,D	3FXI	0.71
DAO	LAURIC ACID	A	1FK1	0.71
DAO	LAURIC ACID	A,B,C,D	1EK4	0.71
DAO	LAURIC ACID	A,B	2QHD	0.71
DAO	LAURIC ACID	A	2GMD	0.71
DAO	LAURIC ACID	A,B	2GRX	0.71
DAO	LAURIC ACID	A	1QFG	0.71
DAO	LAURIC ACID	A,B,C	2AG2	0.71
DAO	LAURIC ACID	A,E	3DPR	0.71
DAO	LAURIC ACID	A,B,C,D	2BYZ	0.71
DAO	LAURIC ACID	A	1E7F	0.71
DAO	LAURIC ACID	A,B	1HZP	0.71
DAO	LAURIC ACID	A,B,C,D	2BYX	0.71
DAO	LAURIC ACID	A	1S8G	0.71
DAO	LAURIC ACID	A,B,C,D	1M7W	0.71
DAO	LAURIC ACID	A	2EVD	0.71
LNG	12-METHYLTRIDECANOIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W3M	0.75
4MV	4-METHYL VALERIC ACID	A,B,C	1I1M	0.81
4MV	4-METHYL VALERIC ACID	A,B,C	2EIY	0.81
4MV	4-METHYL VALERIC ACID	A	2ECO	0.81
4MV	4-METHYL VALERIC ACID	A,C,D	1UMC	0.81
4MV	4-METHYL VALERIC ACID	A,B	2COG	0.81
6NA	HEXANOIC ACID	A,B	2IX4	0.74
6NA	HEXANOIC ACID	A,B	2IWZ	0.74
6NA	HEXANOIC ACID	A	2IQ0	0.74
DTG	DES-AMINO T-BUTYL GLYCINE	A,B,C,D	2WPO	0.78
MYR	MYRISTIC ACID	A	1BJ5	0.71
MYR	MYRISTIC ACID	A	1N5U	0.71
MYR	MYRISTIC ACID	A	1WC8	0.71
MYR	MYRISTIC ACID	A	2K5U	0.71
MYR	MYRISTIC ACID	1,4	1COV	0.71
MYR	MYRISTIC ACID	A	1PZL	0.71
MYR	MYRISTIC ACID	A	1JSA	0.71
MYR	MYRISTIC ACID	A	1WC9	0.71
MYR	MYRISTIC ACID	1,4	1PVC	0.71
MYR	MYRISTIC ACID	1,4	1AYN	0.71
MYR	MYRISTIC ACID	A,B	2AG9	0.71
MYR	MYRISTIC ACID	A	2BXN	0.71
MYR	MYRISTIC ACID	A,B,C,D	3FXI	0.71
MYR	MYRISTIC ACID	1,4	1EAH	0.71
MYR	MYRISTIC ACID	A	2BAU	0.71
MYR	MYRISTIC ACID	1,4	1AR6	0.71
MYR	MYRISTIC ACID	A	1NFP	0.71
MYR	MYRISTIC ACID	A	2H3Q	0.71
MYR	MYRISTIC ACID	1,4	3EPD	0.71
MYR	MYRISTIC ACID	A	1E7G	0.71
MYR	MYRISTIC ACID	1,4	1AL2	0.71
MYR	MYRISTIC ACID	A	3B9L	0.71
MYR	MYRISTIC ACID	E,I	1CMK	0.71
MYR	MYRISTIC ACID	A	2BXI	0.71
MYR	MYRISTIC ACID	A	2JMG	0.71
MYR	MYRISTIC ACID	A,B,C	1TCO	0.71
MYR	MYRISTIC ACID	A	1HA2	0.71
MYR	MYRISTIC ACID	A	2BXO	0.71
MYR	MYRISTIC ACID	1,4	1PO2	0.71
MYR	MYRISTIC ACID	A	1BKE	0.71
MYR	MYRISTIC ACID	1,4	3EPC	0.71
MYR	MYRISTIC ACID	A,D	1ND2	0.71
MYR	MYRISTIC ACID	A,B	1OPL	0.71
MYR	MYRISTIC ACID	A	1FK2	0.71
MYR	MYRISTIC ACID	A	1LA3	0.71
MYR	MYRISTIC ACID	A	2I2Z	0.71
MYR	MYRISTIC ACID	E,I	1CTP	0.71
MYR	MYRISTIC ACID	A,B	2GRX	0.71
MYR	MYRISTIC ACID	A,B,C,D,E,F, G,H	1XDA	0.71
MYR	MYRISTIC ACID	A	1QFG	0.71
MYR	MYRISTIC ACID	A,B,C,D	1TED	0.71
MYR	MYRISTIC ACID	A,B,C	2AG2	0.71
MYR	MYRISTIC ACID	A	1QA5	0.71
MYR	MYRISTIC ACID	A	3B9M	0.71
MYR	MYRISTIC ACID	1,4	1AR8	0.71
MYR	MYRISTIC ACID	1,4	1QJX	0.71
MYR	MYRISTIC ACID	A	2H3I	0.71
MYR	MYRISTIC ACID	A	2K4H	0.71
MYR	MYRISTIC ACID	1,4	1QJU	0.71
MYR	MYRISTIC ACID	1,4	1ASJ	0.71
MYR	MYRISTIC ACID	A	2BXK	0.71
MYR	MYRISTIC ACID	A	2E56	0.71
MYR	MYRISTIC ACID	1,4	1VBD	0.71
MYR	MYRISTIC ACID	A,B	1CDK	0.71
MYR	MYRISTIC ACID	A	2BXL	0.71
MYR	MYRISTIC ACID	A	1O9X	0.71
MYR	MYRISTIC ACID	A	2FO0	0.71
MYR	MYRISTIC ACID	A	3CX9	0.71
MYR	MYRISTIC ACID	A	2AGC	0.71
MYR	MYRISTIC ACID	A	1E7C	0.71
MYR	MYRISTIC ACID	A,B	1OPJ	0.71
MYR	MYRISTIC ACID	1,4	1AR9	0.71
MYR	MYRISTIC ACID	A	1H9G	0.71
MYR	MYRISTIC ACID	A	1H9Z	0.71
MYR	MYRISTIC ACID	1,4	1AR7	0.71
MYR	MYRISTIC ACID	A	1OPK	0.71
MYR	MYRISTIC ACID	A,B	1P42	0.71
MYR	MYRISTIC ACID	A	2R2I	0.71
MYR	MYRISTIC ACID	A	2BXM	0.71
MYR	MYRISTIC ACID	A	2K4I	0.71
MYR	MYRISTIC ACID	A,B	2GO3	0.71
MYR	MYRISTIC ACID	A	2NV3	0.71
MYR	MYRISTIC ACID	A	1UPH	0.71
MYR	MYRISTIC ACID	A	1HK4	0.71
MYR	MYRISTIC ACID	A,B	1V26	0.71
MYR	MYRISTIC ACID	1,4	1EV1	0.71
MYR	MYRISTIC ACID	A	1ICM	0.71
MYR	MYRISTIC ACID	A	2I30	0.71
MYR	MYRISTIC ACID	A	2BAO	0.71
MYR	MYRISTIC ACID	1,4	3EPF	0.71
MYR	MYRISTIC ACID	A	1HBK	0.71
MYR	MYRISTIC ACID	A	2AF9	0.71
MYR	MYRISTIC ACID	1,4	1QJY	0.71
MYR	MYRISTIC ACID	1,4	1D4M	0.71
MYR	MYRISTIC ACID	0,1	1POV	0.71
MYR	MYRISTIC ACID	1,4	1VBA	0.71
MYR	MYRISTIC ACID	A,D	1NCR	0.71
MYR	MYRISTIC ACID	A,D	1OOP	0.71
MYR	MYRISTIC ACID	A	2BXP	0.71
MYR	MYRISTIC ACID	A	1QFF	0.71
MYR	MYRISTIC ACID	1,4	1VBB	0.71
MYR	MYRISTIC ACID	A	2PWN	0.71
MYR	MYRISTIC ACID	1,4	1HXS	0.71
MYR	MYRISTIC ACID	A	2BXQ	0.71
MYR	MYRISTIC ACID	A,B	2J65	0.71
MYR	MYRISTIC ACID	A,D	1H8T	0.71
MYR	MYRISTIC ACID	A,B	1L7Z	0.71
MYR	MYRISTIC ACID	1,4	1AYM	0.71
MYR	MYRISTIC ACID	1,2	1BEV	0.71
MYR	MYRISTIC ACID	1,4	1VBC	0.71
MYR	MYRISTIC ACID	1,2,4	1Z7S	0.71
MYR	MYRISTIC ACID	1,4	1PO1	0.71
MYR	MYRISTIC ACID	1,4	1VBE	0.71
MYR	MYRISTIC ACID	1,4	2PLV	0.71
MYR	MYRISTIC ACID	A	1HK5	0.71
MYR	MYRISTIC ACID	A	1UVA	0.71
MYR	MYRISTIC ACID	A	1IKU	0.71
MYR	MYRISTIC ACID	1,4	1PIV	0.71
MYR	MYRISTIC ACID	A	3EE4	0.71
COI	2-OXO-4-METHYLPENTANOIC ACID	A,B	1QS0	0.73
COI	2-OXO-4-METHYLPENTANOIC ACID	A,C	1UMD	0.73
COI	2-OXO-4-METHYLPENTANOIC ACID	A	1DXY	0.73
COI	2-OXO-4-METHYLPENTANOIC ACID	A,B	2HDK	0.73
COI	2-OXO-4-METHYLPENTANOIC ACID	A	1HJF	0.73
CCM	1-METHYL-1-CARBOXY-CYCLOPENTANE	A	1THL	0.85
OCA	OCTANOIC ACID (CAPRYLIC ACID)	A	2QHS	0.71
OCA	OCTANOIC ACID (CAPRYLIC ACID)	A	1U8U	0.71
OCA	OCTANOIC ACID (CAPRYLIC ACID)	A	1V2G	0.71
OCA	OCTANOIC ACID (CAPRYLIC ACID)	A	2EUM	0.71
OCA	OCTANOIC ACID (CAPRYLIC ACID)	A,B	1H2B	0.71
OCA	OCTANOIC ACID (CAPRYLIC ACID)	A,B,C,D	2BUI	0.71