MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00009088

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
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.72
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.72
1LP	TRANYLCYPROMINE	A,B	1OJB	0.81
3PL	3-PHENYLPROPANAL	E	1Y3G	0.87
PYL	PHENYLETHANE	C	1B07	0.8
PYL	PHENYLETHANE	A,B	2VRM	0.8
PYL	PHENYLETHANE	A	1NHB	0.8
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.76
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.7
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.71
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.71
BDB		A,B	1KE3	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1DPM	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6B	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1PSC	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	3E3H	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1QW7	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6C	0.74
787	(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID	A	1O4R	0.7
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.79
DEN	INDENE	A	183L	0.74
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.71
I4B	ISOBUTYLBENZENE	A	184L	0.78
2IB	2-IODOBENZYL GROUP	I,J,K,L,M,N, O,P	1GUL	0.75
N4B	N-BUTYLBENZENE	A	186L	0.8
VK3	MENADIONE	A	1TUV	0.71
VK3	MENADIONE	A,B	2QR2	0.71
OXE	ORTHO-XYLENE	A,B	3E0X	0.78
OXE	ORTHO-XYLENE	A	188L	0.78
PTF	[(METHYLSULFANYL)METHYL]BENZENE	C,F	1RHQ	0.72
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.86
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.86
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.86
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.86
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.86
PHA	PHENYLALANINAL	A,B	1OB2	0.71
PHA	PHENYLALANINAL	V,Y,Z	2WDG	0.71
PHA	PHENYLALANINAL	V,Y,Z	2WDK	0.71
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	0.71
PHA	PHENYLALANINAL	P	3SGA	0.71
PHA	PHENYLALANINAL	A,B,C,D,E,F	1OB5	0.71
PHA	PHENYLALANINAL	V,Y,Z	2WDM	0.71
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	0.71
PHA	PHENYLALANINAL	A,B	1KDV	0.71
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	0.71
PHA	PHENYLALANINAL	A,B	1KDY	0.71
PHA	PHENYLALANINAL	V,Y,Z	3FIC	0.71
PHA	PHENYLALANINAL	V,Y,Z	2WDH	0.71
PHA	PHENYLALANINAL	A,B	1KE2	0.71
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.8
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.76
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.76
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.71
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.81
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.81
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.81
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.75
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.71
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.71
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.71
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.71
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.71
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.71
FPR	PROPYLBENZENE	C	1RHK	0.8
23F	(2Z)-2-AMINO-3-PHENYLACRYLIC ACID	A	1VRZ	0.7
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.71
AC0	1-PHENYLETHANONE	A	1ZK1	0.79
AC0	1-PHENYLETHANONE	A	1ZK4	0.79
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.72
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.75
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.75
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.75
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.75
PEL	2-PHENYL-ETHANOL	A	1EYW	0.75
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.75
PXY	PARA-XYLENE	A	187L	0.8
PXY	PARA-XYLENE	A	225L	0.8
MBN	TOLUENE	A,B	3D7O	0.8
MBN	TOLUENE	A,B	1R1X	0.8
MBN	TOLUENE	A,B	1JLX	0.8
MBN	TOLUENE	A,B,C,D	3D17	0.8
MBN	TOLUENE	A,B	2VRL	0.8
MBN	TOLUENE	A,I	2Z3E	0.8
MBN	TOLUENE	A,B	1YZI	0.8
MBN	TOLUENE	A,B	2DN1	0.8
MBN	TOLUENE	A,B	3EN1	0.8
HBX	benzaldehyde	A,B	3GDN	0.86
NPY	NAPHTHALENE	A,B	1O7G	0.71
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.8