MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02400074

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
4AB	2,4-DIAMINO-6-[2,3-DIHYDROXY-PROP- 3-YL]-5,6,7,8-TETRAHYDROPTERIDINE	A,B	1DWV	0.78
EH9	(2S,3R)-3-(6-amino-9H-purin-9-yl)nonan- 2-ol	A	2Z7G	0.76
PPZ	2-(PYRIDO[1,2-E]PURIN-4-YL)AMINO- ETHANOL	A,B	1I5V	0.76
CDY	2-CHLORODIDEOXYADENOSINE	A	1QYE	0.75
2AD	2'-AMINO-2'-DEOXYADENOSINE	A,D	2BTE	0.74
2AD	2'-AMINO-2'-DEOXYADENOSINE	A,B	2H0X	0.74
2AD	2'-AMINO-2'-DEOXYADENOSINE	A,B	2GCS	0.74
2AD	2'-AMINO-2'-DEOXYADENOSINE	A	1OBC	0.74
APS	9-HYDROXYPROPYLADENINE, S-ISOMER	A,B	1E2I	0.74
ARP	9-HYDROXYPROPYLADENINE, R-ISOMER	A,B	1E2I	0.74
CL9	2-chloro-2'-deoxyadenosine	A,B	2ZIA	0.74
CL9	2-chloro-2'-deoxyadenosine	A,B	2ZI9	0.74
3AD	3'-DEOXYADENOSINE	A,B	3B4B	0.74
3AD	3'-DEOXYADENOSINE	A,B	3B4C	0.74
3AD	3'-DEOXYADENOSINE	A,B	1FA0	0.74
GMC	(2R,3R,4S,5S)-4-AMINO-2-[6-(DIMETHYLAMINO)- 9H-PURIN-9-YL]-5-(HYDROXYMETHYL)TETRAHYDRO- 3-FURANOL	A	1GPJ	0.74
XYA	2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)- 5-HYDROXYMETHYL-TETRAHYDRO-FURAN- 3,4-DIOL	A,B	2Z3K	0.73
XYA	2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)- 5-HYDROXYMETHYL-TETRAHYDRO-FURAN- 3,4-DIOL	A,B,C	1PR6	0.73
XYA	2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)- 5-HYDROXYMETHYL-TETRAHYDRO-FURAN- 3,4-DIOL	A	1ZTF	0.73
5CD	5'-CHLORO-5'-DEOXYADENOSINE	A	2Q6I	0.73
5CD	5'-CHLORO-5'-DEOXYADENOSINE	A	2Q6L	0.73
5CD	5'-CHLORO-5'-DEOXYADENOSINE	A,B,C	2C2W	0.73
RAB	2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL- TETRAHYDRO-FURAN-3,4-DIOL	A,B,C	1PW7	0.73
RAB	2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL- TETRAHYDRO-FURAN-3,4-DIOL	A,B	3GLQ	0.73
ADN	ADENOSINE	A	2JC9	0.73
ADN	ADENOSINE	A	1PG2	0.73
ADN	ADENOSINE	A,B,C	2ZBV	0.73
ADN	ADENOSINE	A	2DOJ	0.73
ADN	ADENOSINE	A,B,C,D	1RMT	0.73
ADN	ADENOSINE	A,B	2C49	0.73
ADN	ADENOSINE	A,B,C,D	3G1U	0.73
ADN	ADENOSINE	A,B	1Q97	0.73
ADN	ADENOSINE	A	1N3Z	0.73
ADN	ADENOSINE	E	1FMO	0.73
ADN	ADENOSINE	A,B	1HO5	0.73
ADN	ADENOSINE	A,B,C,D	2ZBU	0.73
ADN	ADENOSINE	A	1MRG	0.73
ADN	ADENOSINE	A,B,C	2EJF	0.73
ADN	ADENOSINE	A	1MUO	0.73
ADN	ADENOSINE	A,B,C,D,E,F	1VHW	0.73
ADN	ADENOSINE	A,B,C,D,E,F	1JDV	0.73
ADN	ADENOSINE	A,B	1UAY	0.73
ADN	ADENOSINE	A	1LIK	0.73
ADN	ADENOSINE	A,B,C,D	3CE6	0.73
ADN	ADENOSINE	A,B	2EJG	0.73
ADN	ADENOSINE	A	2PKM	0.73
ADN	ADENOSINE	A	1YI4	0.73
ADN	ADENOSINE	A	1LII	0.73
ADN	ADENOSINE	A	2EVA	0.73
ADN	ADENOSINE	A	2Q6K	0.73
ADN	ADENOSINE	A	1BX4	0.73
ADN	ADENOSINE	A,B	2AC7	0.73
ADN	ADENOSINE	A,B	2B8J	0.73
ADN	ADENOSINE	A	2FQY	0.73
ADN	ADENOSINE	A	1Z37	0.73
ADN	ADENOSINE	A	1MRJ	0.73
ADN	ADENOSINE	A,B,C	1PK7	0.73
ADN	ADENOSINE	A	2PGF	0.73
ADN	ADENOSINE	A,B	2ZGW	0.73
ADN	ADENOSINE	A,B,C,D	1JG3	0.73
ADN	ADENOSINE	A,B,C	1WU8	0.73
ADN	ADENOSINE	A,B,C,D	1XWF	0.73
ADN	ADENOSINE	A,B,C,D	1V8B	0.73
ADN	ADENOSINE	A	3REQ	0.73
ADN	ADENOSINE	A,B	2A8T	0.73
ADN	ADENOSINE	A	1JG2	0.73
ADN	ADENOSINE	A,B	2Q83	0.73
ADN	ADENOSINE	A,B	2B82	0.73
ADN	ADENOSINE	A,B,C,D,E,F	2GL0	0.73
ADN	ADENOSINE	A,B	2W03	0.73
ADN	ADENOSINE	A,B,C,D	1D4F	0.73
ADN	ADENOSINE	A,B	2OA1	0.73
ADN	ADENOSINE	A	1DGM	0.73
ADN	ADENOSINE	A,B,C,D,E,F	1ODI	0.73
ADN	ADENOSINE	A	3FUU	0.73
3BH	(2R,3R,4S,5R)-2-(6,8-diaminopurin- 9-yl)-5-(hydroxymethyl)oxolane- 3,4-diol	A	3FZH	0.73
CFB	2-CHLORO-9-(2-DEOXY-2-FLUORO-B - D-ARABINOFURANOSYL)-9H-PURIN-6- AMINE	A	2A7Q	0.73
CPR		A,B	1B3O	0.73
CPR		A,B	1JCN	0.73
CPR		A,B	1NFB	0.73
A8M	5'-[(3-aminopropyl)(methyl)amino]- 5'-deoxy-8-methyladenosine	A,B	3DZ2	0.73
NOC	3-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL- CYCLOPENTANE-1,2-DIOL	A	1LI4	0.72
3L1	(2S,3R,5S)-5-(6-amino-9H-purin- 9-yl)-tetrahydro-2-(hydroxymethyl)furan- 3-ol	A	2ZI4	0.72
3L1	(2S,3R,5S)-5-(6-amino-9H-purin- 9-yl)-tetrahydro-2-(hydroxymethyl)furan- 3-ol	A,B,C,D	2ZI5	0.72
2FA	2-(6-AMINO-2-FLUORO-PURIN-9-YL)- 5-HYDROXYMETHYL-TETRAHYDRO-FURAN- 3,4-DIOL	A	1Z35	0.72
2FA	2-(6-AMINO-2-FLUORO-PURIN-9-YL)- 5-HYDROXYMETHYL-TETRAHYDRO-FURAN- 3,4-DIOL	A	2PKK	0.72
2FA	2-(6-AMINO-2-FLUORO-PURIN-9-YL)- 5-HYDROXYMETHYL-TETRAHYDRO-FURAN- 3,4-DIOL	A,B,C,D	2ZJ0	0.72
2FA	2-(6-AMINO-2-FLUORO-PURIN-9-YL)- 5-HYDROXYMETHYL-TETRAHYDRO-FURAN- 3,4-DIOL	A,B,C	1PK9	0.72
MAO		A	1I72	0.72
5AD	5'-DEOXYADENOSINE	A,B,C,D	1I9C	0.72
5AD	5'-DEOXYADENOSINE	B	1XRS	0.72
5AD	5'-DEOXYADENOSINE	A,B,C	2CC2	0.72
5AD	5'-DEOXYADENOSINE	A,B	2FB3	0.72
5AD	5'-DEOXYADENOSINE	A	3CI3	0.72
5AD	5'-DEOXYADENOSINE	A,B,C,D	4REQ	0.72
HPR	6-HYDROXY-7,8-DIHYDRO PURINE NUCLEOSIDE	A	1UIO	0.72
HPR	6-HYDROXY-7,8-DIHYDRO PURINE NUCLEOSIDE	A	2ADA	0.72
N8M	5'-deoxy-5'-(dimethylamino)-8-methyladenosine	A,B	3H0W	0.72
3D1	(2R,3S,5R)-5-(6-amino-9H-purin- 9-yl)-tetrahydro-2-(hydroxymethyl)furan- 3-ol	A,B,C	1S2G	0.72
3D1	(2R,3S,5R)-5-(6-amino-9H-purin- 9-yl)-tetrahydro-2-(hydroxymethyl)furan- 3-ol	A,B,C	2C5H	0.72
3D1	(2R,3S,5R)-5-(6-amino-9H-purin- 9-yl)-tetrahydro-2-(hydroxymethyl)furan- 3-ol	A,B	2Z3M	0.72
3D1	(2R,3S,5R)-5-(6-amino-9H-purin- 9-yl)-tetrahydro-2-(hydroxymethyl)furan- 3-ol	A,B,C,D	2ZI6	0.72
3D1	(2R,3S,5R)-5-(6-amino-9H-purin- 9-yl)-tetrahydro-2-(hydroxymethyl)furan- 3-ol	A,B	2ZI3	0.72
LMS	[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN- 9-YL)-3,4-DIHYDROXYTETRAHYDRO-2- FURANYL]METHYL SULFAMATE	A	1OBC	0.71
LMS	[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN- 9-YL)-3,4-DIHYDROXYTETRAHYDRO-2- FURANYL]METHYL SULFAMATE	A	2V0C	0.71
LMS	[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN- 9-YL)-3,4-DIHYDROXYTETRAHYDRO-2- FURANYL]METHYL SULFAMATE	A	1H3N	0.71
LMS	[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN- 9-YL)-3,4-DIHYDROXYTETRAHYDRO-2- FURANYL]METHYL SULFAMATE	A	1OBH	0.71
2BU		A	1U6C	0.71
2BU		A	1U6O	0.71
M8M	5'-{[2-(aminooxy)ethyl](methyl)amino}- 5'-deoxy-8-methyladenosine	A,B	3DZ5	0.71
5AS	5'-O-(N-ETHYL-SULFAMOYL)ADENOSINE	A	1RZY	0.71
8AN		V,Y,Z	2WDK	0.71
8AN		V,Y,Z	2WDG	0.71
8AN		V,Y,Z	2WDM	0.71
8AN		0,1,2,3,6,9, A,B,C,D,F,H, J,K,L,M,N,O, Q,R,S,T,U,Y,Z	3CMA	0.71
8AN		0,1,2,3,6,9, A,B,C,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z	3CME	0.71
8AN		V,Y,Z	2WDH	0.71
2FD	5-(6-AMINO-2-FLUORO-PURIN-9-YL)- 2-HYDROXYMETHYL-TETRAHYDRO-FURAN- 3-OL	A,B,C	3GGS	0.71
2FD	5-(6-AMINO-2-FLUORO-PURIN-9-YL)- 2-HYDROXYMETHYL-TETRAHYDRO-FURAN- 3-OL	A	1Z34	0.71
2FD	5-(6-AMINO-2-FLUORO-PURIN-9-YL)- 2-HYDROXYMETHYL-TETRAHYDRO-FURAN- 3-OL	A,B,C	1PKE	0.71
CC5	BETA-D-ERYTHROFURANOSYL-ADENOSINE	A	2I2B	0.71
CC5	BETA-D-ERYTHROFURANOSYL-ADENOSINE	A,B,C	2CBX	0.71
6MZ	N6-METHYLADENOSINE-5'-MONOPHOSPHATE	A	2JRG	0.7
6MZ	N6-METHYLADENOSINE-5'-MONOPHOSPHATE	Y,Z	2UUB	0.7
6MZ	N6-METHYLADENOSINE-5'-MONOPHOSPHATE	Y,Z	2UUA	0.7
6MZ	N6-METHYLADENOSINE-5'-MONOPHOSPHATE	Y,Z	2UUC	0.7
6MZ	N6-METHYLADENOSINE-5'-MONOPHOSPHATE	Y,Z	2UU9	0.7
6MZ	N6-METHYLADENOSINE-5'-MONOPHOSPHATE	A	2JSG	0.7
26A	6N-DIMETHYLADENOSINE	A	2A9Y	0.7
26A	6N-DIMETHYLADENOSINE	A	2A9Z	0.7
5F1	5'-FLUORO-2',5'-DIDEOXYADENOSINE	A,B,C	2C5B	0.7
MHZ	5'-DEOXY-5'-[(3-HYDRAZINOPROPYL)METHYLAMINO]ADENOSINE	A	1I79	0.7
SRA		A	1D0T	0.7
A38		A,B	1D75	0.7
A38		B	1FJB	0.7
3DA	3'-DEOXYADENOSINE-5'-MONOPHOSPHATE	A,B,D	2P7F	0.7
3DA	3'-DEOXYADENOSINE-5'-MONOPHOSPHATE	D,R	1S77	0.7
5AA	N6-DIMETHYL-3'-AMINO-ADENOSINE- 5'-MONOPHOSPHATE	0,1,3,4,5,9, A,B,C,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z	1VQ6	0.7
5AA	N6-DIMETHYL-3'-AMINO-ADENOSINE- 5'-MONOPHOSPHATE	0,1,3,4,9,A, B,C,H,J,K,L, M,N,O,Q,R,S, T,U,Y,Z	1VQ7	0.7
5AA	N6-DIMETHYL-3'-AMINO-ADENOSINE- 5'-MONOPHOSPHATE	0,1,2,3,4,9, A,B,C,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z	1VQ5	0.7
5AA	N6-DIMETHYL-3'-AMINO-ADENOSINE- 5'-MONOPHOSPHATE	0,1,3,4,9,A, B,C,H,J,K,L, M,N,O,Q,R,S, T,U,Y,Z	1VQ4	0.7