MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03209977

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
APS	9-HYDROXYPROPYLADENINE, S-ISOMER	A,B	1E2I	0.73
ARP	9-HYDROXYPROPYLADENINE, R-ISOMER	A,B	1E2I	0.73
6AP	9H-PURINE-2,6-DIAMINE	A	2B57	0.79
CFP	6-CHLORO-2-FLUOROPURINE	A	1JDJ	0.73
A2F	2-fluoroadenine	A	3GOT	0.78
A2F	2-fluoroadenine	A,B,C	3GB9	0.78
IHE	6-(CYCLOHEXYLAMINO)-9-[2-(4-METHYLPIPERAZIN- 1-YL)-ETHYL]-9H-PURINE-2-CARBONITRILE	A	1U9V	0.7
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol	A,B,C,D	2FLH	0.75
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol	A,B,C,D	3C0V	0.75
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol	A	2QIM	0.75
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol	A,B	3D7W	0.75
ZEA	(2E)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol	A	1W1R	0.75
ADZ	9-METHYL-9H-PURIN-6-AMINE	A	1O9U	0.74
HA8	N6-(buta-2,3-dienyl)adenine	A	3C0P	0.77
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DY8	0.74
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2HD1	0.74
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYN	0.74
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYS	0.74
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2YY2	0.74
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3ECN	0.74
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYL	0.74
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D	1ZKN	0.74
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	2R8Q	0.74
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B,C,D,E,F, G,H,I,J,K,L	1SOJ	0.74
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A,B	3DYQ	0.74
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1RKP	0.74
IBM	3-ISOBUTYL-1-METHYLXANTHINE	A	1ZKL	0.74
39A	6-AMINO-3,9-DIMETHYL-9H-PURIN-3- IUM	A,B	1PU7	0.75
TEP	THEOPHYLLINE	A	1EHT	0.72
TEP	THEOPHYLLINE	A,B	2A3A	0.72
TEP	THEOPHYLLINE	A	1O15	0.72
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B,C,D,E,F, G,H	1QPY	0.76
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	1RRU	0.76
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	B	1PDT	0.76
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	1PUP	0.76
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	B	1NR8	0.76
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	1XJ9	0.76
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A	176D	0.76
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B,C,D	1HZS	0.76
APN	2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE- ADENINE	A,B	2K4G	0.76
301	N6-(penta-2,3-dienyl)adenine	A	3BW7	0.76
ADE	ADENINE	A	1WEI	0.79
ADE	ADENINE	A	2QLU	0.79
ADE	ADENINE	A,B	2H8G	0.79
ADE	ADENINE	A,B	1HQC	0.79
ADE	ADENINE	A	1AHA	0.79
ADE	ADENINE	A,B,C,D,E,F, G,H	1BJQ	0.79
ADE	ADENINE	A,B,D	1YXM	0.79
ADE	ADENINE	A	1CB0	0.79
ADE	ADENINE	A,B	2QTT	0.79
ADE	ADENINE	A,B,C	1XE8	0.79
ADE	ADENINE	A,B	1M2T	0.79
ADE	ADENINE	A	2P8N	0.79
ADE	ADENINE	A,B,C	2PQJ	0.79
ADE	ADENINE	A,B,C	1VRL	0.79
ADE	ADENINE	A,B	3BSF	0.79
ADE	ADENINE	X	1Y26	0.79
ADE	ADENINE	A,B	1ZN7	0.79
ADE	ADENINE	A,B	1Z5N	0.79
ADE	ADENINE	A	1QB7	0.79
ADE	ADENINE	A	1LU1	0.79
ADE	ADENINE	A,B	1Q8Y	0.79
ADE	ADENINE	A	2QES	0.79
ADE	ADENINE	A	2PUB	0.79
ADE	ADENINE	A	1Z8D	0.79
ADE	ADENINE	A	1JH8	0.79
ADE	ADENINE	A	1QD2	0.79
ADE	ADENINE	A	2ICS	0.79
ADE	ADENINE	A	1IFS	0.79
ADE	ADENINE	A	1NLI	0.79
ADE	ADENINE	A,B	1D2A	0.79
ADE	ADENINE	A	1GIU	0.79
ADE	ADENINE	A	1J1R	0.79
ADE	ADENINE	A	2QET	0.79
ADE	ADENINE	A,B,C	1OD4	0.79
ADE	ADENINE	A,B	1QCI	0.79
ADE	ADENINE	A,B,C,D,E,F	2GA4	0.79
ADE	ADENINE	A,B	1JYS	0.79
ADE	ADENINE	A	1LPD	0.79
ADE	ADENINE	A,B	1OD2	0.79
ADE	ADENINE	A	1WTA	0.79
ADE	ADENINE	A,B,C	1S2D	0.79
ADE	ADENINE	A	1MUD	0.79
ADE	ADENINE	A	2PUE	0.79
6GU	6-chloroguanine	A	3FO4	0.75
6GU	6-chloroguanine	A	3GOG	0.75
6GU	6-chloroguanine	A	3GER	0.75
PM6	9H-purine-6-thiol	A,B	3BGD	0.79
BCP	2-BROMO-6-CHLORO-PURINE	A	1M66	0.72
BCP	2-BROMO-6-CHLORO-PURINE	A	1N1G	0.72
M02	1-(9H-purin-6-yl)piperidin-4-amine	A	2VNY	0.78
3MA	6-AMINO-3-METHYLPURINE	A	3MAG	0.8
XX1	N~6~-7H-PURIN-6-YL-L-LYSINE	A,B,C,D	2OQF	0.72
2BP	9H-purin-2-amine	A	3G4M	0.75
6MP	6-METHYLPURINE	A,B,C	1OU4	0.75
6MP	6-METHYLPURINE	A,B,C	1OTY	0.75
6MP	6-METHYLPURINE	A	2PUA	0.75
M01	1-[1-(9H-purin-6-yl)piperidin-4- yl]methanamine	A	2VNW	0.75
ZEZ	(2Z)-2-methyl-4-(9H-purin-6-ylamino)but- 2-en-1-ol	A,B	3D7W	0.75
BP1	6-BROMO-7H-PURINE	A,B,C	1S2I	0.74
PPZ	2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO- ETHANOL	A,B	1I5V	0.71
ZIP	N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN- 6-AMINE	A	1W1Q	0.8
ZIP	N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN- 6-AMINE	A	2EXM	0.8
3D3	2-[(6-AMINO-7H-PURIN-8-YL)THIO]ACETAMIDE	A	2CGX	0.92
M1A	6-AMINO-1-METHYLPURINE	A	1B42	0.8
XAN	XANTHINE	A	3GAO	0.7
XAN	XANTHINE	2,3,4,A,B,C, J,K,L,S,T,U	3EUB	0.7
XAN	XANTHINE	A,B,C,D,E,F	1YR3	0.7
XAN	XANTHINE	A	2UZ9	0.7
XAN	XANTHINE	A,B,C,D,E,F, G,H	2W3S	0.7
XAN	XANTHINE	A,B,C,D	1A96	0.7