MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03504799

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
BHO	BENZHYDROXAMIC ACID	A,B	1GX2	0.73
BHO	BENZHYDROXAMIC ACID	A	1HSR	0.73
BHO	BENZHYDROXAMIC ACID	A,B	2ATJ	0.73
BHO	BENZHYDROXAMIC ACID	A,B	4ATJ	0.73
BHO	BENZHYDROXAMIC ACID	A,B	3ATJ	0.73
BHO	BENZHYDROXAMIC ACID	A	3GCK	0.73
BHO	BENZHYDROXAMIC ACID	A,B,C,D,E,F, G,H	2BOY	0.73
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.76
U1N	4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE	A,B	2OGZ	0.75
VK3	MENADIONE	A	1TUV	0.8
VK3	MENADIONE	A,B	2QR2	0.8
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.78
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.78
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.78
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.78
4AF	4-ACETYL-L-PHENYLALANINE	A	1ZH6	0.77
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.72
DHQ	3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE	A	1PAX	0.74
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.8
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.8
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.86
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.78
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.78
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.78
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.78
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.78
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.78
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.78
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.78
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.78
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.78
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.78
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FR9	0.76
PBF	PARA-(BENZOYL)-PHENYLALANINE	A,B	1EEN	0.76
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2HGZ	0.76
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FRB	0.76
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2ITK	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	4THN	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2Q5A	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZWU	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1SKL	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	5GDS	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZH0	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2JT9	0.71
605	4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl- 3-carboxamide	A,B	3D4L	0.73
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.81
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.81
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.81
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.7
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.7
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.7
SP9	N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide	A,B	3CNT	0.71
PCS	PHENYLALANYLMETHYLCHLORIDE	B,D	1DLK	0.74
PCS	PHENYLALANYLMETHYLCHLORIDE	A	1XQX	0.74
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.78
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.71
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.78
BVA	TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE	B,C	2P8O	0.71
RXA	isoquinoline-1,3,4(2H)-trione	A,B,C,D	3DEH	0.73
PSS	ETHYLAMINOBENZYLMETHYLCARBONYL GROUP	A	1EAG	0.71
PHA	PHENYLALANINAL	A,B	1OB2	0.74
PHA	PHENYLALANINAL	V,Y,Z	2WDG	0.74
PHA	PHENYLALANINAL	V,Y,Z	2WDK	0.74
PHA	PHENYLALANINAL	1,2,4,5,A,B, C,D,E,J,K,L, M,N,O,P,R,S, T,U,V,Z	1M90	0.74
PHA	PHENYLALANINAL	P	3SGA	0.74
PHA	PHENYLALANINAL	A,B,C,D,E,F	1OB5	0.74
PHA	PHENYLALANINAL	V,Y,Z	2WDM	0.74
PHA	PHENYLALANINAL	0,2,4,9,A,B, C,H,I,J,K,L, M,N,P,Q,R,S, T,X,Y,Z	1KQS	0.74
PHA	PHENYLALANINAL	A,B	1KDV	0.74
PHA	PHENYLALANINAL	1,2,4,5,6,A, B,C,D,E,J,K, L,M,N,O,P,R, S,T,U,V,Z	1Q86	0.74
PHA	PHENYLALANINAL	A,B	1KDY	0.74
PHA	PHENYLALANINAL	V,Y,Z	3FIC	0.74
PHA	PHENYLALANINAL	V,Y,Z	2WDH	0.74
PHA	PHENYLALANINAL	A,B	1KE2	0.74
SP8	N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide	A,B	3CNS	0.71
AC0	1-PHENYLETHANONE	A	1ZK1	0.79
AC0	1-PHENYLETHANONE	A	1ZK4	0.79
3AB	3-aminobenzamide	A,B,C,D	3GOY	0.71
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	1YYL	0.71
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	2I5Y	0.71
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.81
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.78
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.78
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.78
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.78
PQN	PHYLLOQUINONE	0,1,2,3,4,5, 6,7,8,9,A,B, C,F,G,H,J,K, L,P,Q,R,U,V, W,Z	1QZV	0.78
GK5	N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide	A	3D7Z	0.71
NAM	NAM NAPTHYLAMINOALANINE	A,B,I,J	3FIV	0.78
NAM	NAM NAPTHYLAMINOALANINE	A,B,I,J	2FIV	0.78
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.8
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.81
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	2FIV	0.71
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B	1B0H	0.71
ALN	NAPHTHALEN-2-YL-3-ALANINE	B	1FIV	0.71
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	3FIV	0.71
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.7
NFA	PHENYLALANINE AMIDE	A,B,C,D	2BTJ	0.74
NFA	PHENYLALANINE AMIDE	A,B,C,D,E,F	2EFX	0.74
NFA	PHENYLALANINE AMIDE	A,B,C,D	2VVJ	0.74
NFA	PHENYLALANINE AMIDE	A	2A4O	0.74
NFA	PHENYLALANINE AMIDE	A,B	1XAE	0.74
NFA	PHENYLALANINE AMIDE	A,B,C,D	2OGR	0.74
NFA	PHENYLALANINE AMIDE	A,B,C,D	1QA7	0.74
NFA	PHENYLALANINE AMIDE	A,B,C,D	2GW4	0.74