MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02258063

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
MX4	{1-[4-(BENZYLOXY)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID	I	2C2M	0.72
ZRA	BENZOYL-ARGININE-ALANINE-METHYL KETONE	A	2AIM	0.74
F3G	3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID	A	2HBY	0.73
F3G	3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID	A	2H4Y	0.73
F3G	3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID	A	2HBR	0.73
F3G	3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID	A	2H4W	0.73
F3G	3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID	A	2H48	0.73
F3G	3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID	A	2H54	0.73
F3G	3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID	A	2H51	0.73
F3G	3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID	A	2HBZ	0.73
F3G	3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID	A	2HBQ	0.73
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.73
SEM	3-AMINO-4-OXYBENZYL-2-BUTANONE	A,B	1THE	0.76
2PM	N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE	A,B	2AOT	0.74
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.72
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.72
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.72
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.72
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.72
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.72
1BH	N-BENZYLOXYCARBONYL-ALA-PRO-3-AMINO- 4-PHENYL-BUTAN-2-OL	A	1BH6	0.7
ZAH	N-[(BENZYLOXY)CARBONYL]-L-ALANYL- L-PROLINE	A,B	2BKL	0.73
CT1	(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)- 1-FORMYLPENTYL]CARBAMATE	A	2AUX	0.7
SDK	1,3-BIS[[N-[(PHENYLMETHOXY)CARBONYL]- L-LEUCYL]AMINO]-2-PROPANONE	A	1AU0	0.73
NBL	N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)- 1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE	A	1YK7	0.72
BLN	MORPHOLINE-4-CARBOXYLIC ACID [1S- (2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)- 3-METHYL-BUTYL]AMIDE	A	1MS6	0.71
MYE	N2-({[(4-BROMOPHENYL)METHYL]OXY}CARBONYL)- N1-[(1S)-1-FORMYLPENTYL]-L-LEUCINAMIDE	A	1SNK	0.7
ZFB	(3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}- 2-OXO-4-PHENYLBUTANE-1-DIAZONIUM	A,B,C,D	1PVJ	0.73
KI2	3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID	A,B,I,J	1NH0	0.71
KI2	3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID	I	1U8G	0.71
BO9	N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]- N2-[(TERT-BUTOXYCARBONYL)-D-GAMMA- GLUTAMYL]-N6-[(BENZYLOXY)CARBONYL- L-LYSINAMIDE	A	1Z6F	0.71
BBL	N-[(BENZYLOXY)CARBONYL]-L-ALANINE	A,I	2H9H	0.84
BBL	N-[(BENZYLOXY)CARBONYL]-L-ALANINE	A,I	2HAL	0.84
BBL	N-[(BENZYLOXY)CARBONYL]-L-ALANINE	A	2A4O	0.84
BBL	N-[(BENZYLOXY)CARBONYL]-L-ALANINE	A,I	2H6M	0.84
BBL	N-[(BENZYLOXY)CARBONYL]-L-ALANINE	A	2CXV	0.84
BAD	(1S)-2-amino-1-phenylethyl 6-O- beta-L-glucopyranosyl-alpha-D-mannopyranoside	A	2QJE	0.72
FOS	[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE	A	1BLH	0.8
FOS	[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE	A	1AXB	0.8
ALD	CARBOBENZYLOXYLEUCINYL-LEUCINYL- LEUCINAL	A	1BP4	0.76
MP2	N-[(BENZYLOXY)CARBONYL]-L-CYSTEINYLGLYCINE	A,B	2FU9	0.77
959	benzyl (2-oxopropyl)carbamate	A	3D62	0.84
K2Z	benzyl [(1S)-1-{[(1S,2S)-1-ethyl- 2-hydroxy-3-{[3-(4-methylpiperazin- 1-yl)propyl]amino}-3-oxopropyl]carbamoyl}- 3-methylbutyl]carbamate	A	2R9F	0.7
INT	[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE	A	3TLH	0.74
INT	[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE	A	1B11	0.74
INT	[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE	A	6FIV	0.74
INT	[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE	A	5FIV	0.74
INT	[[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE	A	2HAH	0.74
SBA	CARBOBENZYLOXY-(L)-LEUCINYL-(L)LEUCINYL METHOXYMETHYLKETONE	A	1BQI	0.72