MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02423298

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
PXY	PARA-XYLENE	A	187L	0.7
PXY	PARA-XYLENE	A	225L	0.7
23F	(2Z)-2-AMINO-3-PHENYLACRYLIC ACID	A	1VRZ	0.71
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.76
PAC	2-PHENYLACETIC ACID	B	1PNL	0.71
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.71
PAC	2-PHENYLACETIC ACID	B	1FXH	0.71
PAC	2-PHENYLACETIC ACID	A	2ISF	0.71
PAC	2-PHENYLACETIC ACID	A	2INE	0.71
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.73
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.76
TOH	(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID	A	2IME	0.74
TOH	(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID	A	2IMD	0.74
FPR	PROPYLBENZENE	C	1RHK	0.7
HC4		A	1TS6	0.73
HC4		A	3PHY	0.73
HC4		A	3PYP	0.73
HC4		A	1T1C	0.73
HC4		A	1OT6	0.73
HC4		A	1TS0	0.73
HC4		A	1T1A	0.73
HC4		A	2PYP	0.73
HC4		A	2ZOI	0.73
HC4		A	1OTI	0.73
HC4		A	1XFQ	0.73
HC4		A	2D01	0.73
HC4		A,B,C,D,E,F, G,H	2O7B	0.73
HC4		A	2ZOH	0.73
HC4		A	1GSW	0.73
HC4		A	2QJ7	0.73
HC4		A	1F9I	0.73
HC4		X	1UWP	0.73
HC4		A	2PHY	0.73
HC4		A	1T1B	0.73
HC4		A	1F98	0.73
HC4		A	1T19	0.73
HC4		X	1UWN	0.73
HC4		A,B,C,D,E,F, G,H	2O7F	0.73
HC4		A	1UGU	0.73
HC4		A	1TS8	0.73
HC4		A,B	1OTD	0.73
HC4		A	1OTE	0.73
HC4		A	1GSX	0.73
HC4		A	1TS7	0.73
HC4		A	2PYR	0.73
HC4		A	1S4S	0.73
HC4		A	1GSV	0.73
HC4		A	2I9V	0.73
HC4		A	2QWS	0.73
HC4		A	1XFN	0.73
HC4		A	1S4R	0.73
HC4		A	1T18	0.73
HC4		A	1OTA	0.73
HC4		A	1D7E	0.73
HC4		A	1S1Z	0.73
HC4		A,B,C	1MZU	0.73
HC4		A,B	1ODV	0.73
HC4		A,B	2J3J	0.73
HC4		A	2QJ5	0.73
HC4		A	1OTB	0.73
HC4		A	2D02	0.73
HC4		A	1OT9	0.73
HC4		A	1NWZ	0.73
HC4		A	1S1Y	0.73
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.72
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.72
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.72
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.72
HCI	HYDROCINNAMIC ACID	A	1TOI	0.72
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.72
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.72
AC0	1-PHENYLETHANONE	A	1ZK1	0.74
AC0	1-PHENYLETHANONE	A	1ZK4	0.74
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
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.7
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.76
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.76
C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid	A	2RHW	0.72
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.71
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.73
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.73
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.73
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.73
PEL	2-PHENYL-ETHANOL	A	1EYW	0.73
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.73
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.72
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE	A	2OPA	0.7
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE	A,B,C	1MFI	0.7
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE	A,B	1GYY	0.7
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.73
2HC	(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID	A,B	1V5Z	0.72
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,5,9, A,B,C,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z	1VQ6	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z	1VQP	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,2,3,4,5, 9,A,B,C,D,F, H,J,K,L,M,N, O,Q,R,S,T,U, Y,Z	1VQN	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.71
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.7
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.7
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.72
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.72
PYL	PHENYLETHANE	C	1B07	0.7
PYL	PHENYLETHANE	A,B	2VRM	0.7
PYL	PHENYLETHANE	A	1NHB	0.7
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.71
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.71
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.71
N4B	N-BUTYLBENZENE	A	186L	0.7
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.76
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.75
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.8
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.78