MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02235551

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
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.73
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.73
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.73
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.73
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.73
1LP	TRANYLCYPROMINE	A,B	1OJB	0.71
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.73
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.73
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.73
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.73
HCI	HYDROCINNAMIC ACID	A	1TOI	0.73
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.73
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.73
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.71
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.72
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.72
PXY	PARA-XYLENE	A	187L	0.72
PXY	PARA-XYLENE	A	225L	0.72
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.78
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.78
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.77
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.71
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.76
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.77
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.72
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.72
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.72
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.71
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.71
FPR	PROPYLBENZENE	C	1RHK	0.72
HBX	benzaldehyde	A,B	3GDN	0.71
AC0	1-PHENYLETHANONE	A	1ZK1	0.71
AC0	1-PHENYLETHANONE	A	1ZK4	0.71
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.72
MBN	TOLUENE	A,B	3D7O	0.71
MBN	TOLUENE	A,B	1R1X	0.71
MBN	TOLUENE	A,B	1JLX	0.71
MBN	TOLUENE	A,B,C,D	3D17	0.71
MBN	TOLUENE	A,B	2VRL	0.71
MBN	TOLUENE	A,I	2Z3E	0.71
MBN	TOLUENE	A,B	1YZI	0.71
MBN	TOLUENE	A,B	2DN1	0.71
MBN	TOLUENE	A,B	3EN1	0.71
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.75
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.76
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.84
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.84
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.84
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.79
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.79
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.79
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.79
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.79
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.79
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.79
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.79
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.79
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.79
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.79
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.79
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.79
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.79
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.79
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.79
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.79
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.79
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.79
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.79
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.79
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.79
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.79
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.79
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.79
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.79
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.79
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.79
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.79
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.79
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.79
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.79
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.79
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.79
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.79
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.79
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.79
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.79
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.79
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.79
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.79
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.79
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.79
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.79
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.79
R13	3-METHYL-7-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL) -OCTA-2,4,6-TRIENOIC ACID	A	2CBS	0.71
PAC	2-PHENYLACETIC ACID	B	1PNL	0.7
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.7
PAC	2-PHENYLACETIC ACID	B	1FXH	0.7
PAC	2-PHENYLACETIC ACID	A	2ISF	0.7
PAC	2-PHENYLACETIC ACID	A	2INE	0.7
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.71
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.83
N4B	N-BUTYLBENZENE	A	186L	0.72
CP5	(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE	A	1SCW	0.71
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1DPM	0.71
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6B	0.71
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1PSC	0.71
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	3E3H	0.71
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1QW7	0.71
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6C	0.71
PYL	PHENYLETHANE	C	1B07	0.72
PYL	PHENYLETHANE	A,B	2VRM	0.72
PYL	PHENYLETHANE	A	1NHB	0.72
3PL	3-PHENYLPROPANAL	E	1Y3G	0.74
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.71
23F	(2Z)-2-AMINO-3-PHENYLACRYLIC ACID	A	1VRZ	0.74