MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02289079

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
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZSF	0.77
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A	1JLD	0.77
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDA	0.77
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDB	0.77
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1Z8C	0.77
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZBG	0.77
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZPK	0.77
2PM	N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE	A,B	2AOT	0.85
OTR	4-(2R-AMINO-1-HYDROXYETHYL)PHENOL	A,B	1RGT	0.74
OTR	4-(2R-AMINO-1-HYDROXYETHYL)PHENOL	A,B	1RG2	0.74
OTR	4-(2R-AMINO-1-HYDROXYETHYL)PHENOL	A,B	2AN4	0.74
CTX	(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE	A,B,C	1YA4	0.71
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.76
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.76
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.76
FOS	[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE	A	1BLH	0.73
FOS	[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE	A	1AXB	0.73
SFX	(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine	A	3GWW	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.77
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.77
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.77
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.77
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.77
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.77
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.77
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.77
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.77
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.77
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.77
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.77
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.77
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.77
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.77
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.77
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.77
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.77
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.77
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.77
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.77
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.77
MFD	(2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID	A	1AY3	0.71
959	benzyl (2-oxopropyl)carbamate	A	3D62	0.79
OTS	4-(2S-AMINO-1-HYDROXYETHYL)PHENOL	A,B	1RG2	0.74
OTS	4-(2S-AMINO-1-HYDROXYETHYL)PHENOL	A,B	1RG1	0.74
OTS	4-(2S-AMINO-1-HYDROXYETHYL)PHENOL	A,B	1RH0	0.74
OTS	4-(2S-AMINO-1-HYDROXYETHYL)PHENOL	A,B	1RGU	0.74
OTS	4-(2S-AMINO-1-HYDROXYETHYL)PHENOL	A,B	1RGT	0.74
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1ZSR	0.77
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZJ7	0.77
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZLF	0.77
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEG	0.77
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1FQX	0.77
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1IIQ	0.77
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEF	0.77
TB1	(3S)-3-(BENZYLOXY)-L-ASPARTIC ACID	A,B,C	2NWW	0.74
RFX	(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan- 1-amine	A	3GWV	0.72
BBL	N-[(BENZYLOXY)CARBONYL]-L-ALANINE	A,I	2H9H	0.75
BBL	N-[(BENZYLOXY)CARBONYL]-L-ALANINE	A,I	2HAL	0.75
BBL	N-[(BENZYLOXY)CARBONYL]-L-ALANINE	A	2A4O	0.75
BBL	N-[(BENZYLOXY)CARBONYL]-L-ALANINE	A,I	2H6M	0.75
BBL	N-[(BENZYLOXY)CARBONYL]-L-ALANINE	A	2CXV	0.75
0A9	methyl L-phenylalaninate	A	1AY2	0.7
0A9	methyl L-phenylalaninate	I	5ER1	0.7
0A9	methyl L-phenylalaninate	I,P	1HDT	0.7
PHK	(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL	A	1MU0	0.7
PHK	(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL	A	1XRL	0.7
AEH	4-(2-aminoethyl)-2-ethylphenol	A	3BUG	0.72
COR	2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE	A	9HVP	0.7
1ZN	(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy- 2,6,8-trimethyl-10-phenyldeca-4,6- dienoic acid	C,F,M,N	2IAE	0.71
PZM	1-(4-METHOXYPHENYL)METHANAMINE	A,D,H	2HJB	0.75
MAZ	FORMIC ACID 3-AMINO-BENZYL ESTER	H,L	1JYQ	0.7
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.82
TA2	(2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL	A,B	2IFR	0.73
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.78
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.78
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.73
SS1	1-PHENYLETHANOL	H	1UM5	0.76
TTL	TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL	A,B	2AN5	0.76
HPH	PHENYLALANINDIOL	I	1E5O	0.71
HPH	PHENYLALANINDIOL	A,B	1ODX	0.71
HPH	PHENYLALANINDIOL	A,B	1MTB	0.71
HPH	PHENYLALANINDIOL	A,B	2FGV	0.71
HPH	PHENYLALANINDIOL	A	1ODW	0.71
HPH	PHENYLALANINDIOL	A,B	2FGU	0.71
HPH	PHENYLALANINDIOL	A,B	1HXB	0.71
TAX	(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINIUM	A	1FJ5	0.74
BAD	(1S)-2-amino-1-phenylethyl 6-O- beta-L-glucopyranosyl-alpha-D-mannopyranoside	A	2QJE	0.73
AEF	4-(2-aminoethyl)phenol	A	3BRA	0.72
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.72
PDH	(2S)-2-AMINO-3-PHENYL-1-PROPANOL	A	1GQ0	0.74
505	(2R)-1-(2,6-dimethylphenoxy)propan- 2-amine	A	2VIN	0.82
ZHH	2-(4-METHOXYPHENYL)ETHANAMINE	D,H	2HKR	0.78
CTL	CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL	A,B	2AN3	0.76
AEG	4-[(2R)-2-aminopropyl]phenol	A	3BUF	0.72
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.76
SEM	3-AMINO-4-OXYBENZYL-2-BUTANONE	A,B	1THE	0.89
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.73
PHL	L-PHENYLALANINOL	A,B	1JOH	0.74
PHL	L-PHENYLALANINOL	I	3APR	0.74
PHL	L-PHENYLALANINOL	A	1DLZ	0.74
PHL	L-PHENYLALANINOL	A	1IH9	0.74
PHL	L-PHENYLALANINOL	A	1OB4	0.74
PHL	L-PHENYLALANINOL	I	2ER6	0.74
PHL	L-PHENYLALANINOL	A	1R9U	0.74
PHL	L-PHENYLALANINOL	A	1OB7	0.74
PHL	L-PHENYLALANINOL	A,B	1OB6	0.74
PHL	L-PHENYLALANINOL	A,B,C	1AMT	0.74