MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01385763

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
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.83
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.83
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.83
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.8
IBP	IBUPROFEN	A	3FKX	0.75
IBP	IBUPROFEN	A,B	2BXG	0.75
IBP	IBUPROFEN	A,B	1EQG	0.75
IBP	IBUPROFEN	A,B,C	2WD9	0.75
IBP	IBUPROFEN	A	2PWS	0.75
FBC		A,B	2B9A	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
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.74
HC4		A	1TS6	0.7
HC4		A	3PHY	0.7
HC4		A	3PYP	0.7
HC4		A	1T1C	0.7
HC4		A	1OT6	0.7
HC4		A	1TS0	0.7
HC4		A	1T1A	0.7
HC4		A	2PYP	0.7
HC4		A	2ZOI	0.7
HC4		A	1OTI	0.7
HC4		A	1XFQ	0.7
HC4		A	2D01	0.7
HC4		A,B,C,D,E,F, G,H	2O7B	0.7
HC4		A	2ZOH	0.7
HC4		A	1GSW	0.7
HC4		A	2QJ7	0.7
HC4		A	1F9I	0.7
HC4		X	1UWP	0.7
HC4		A	2PHY	0.7
HC4		A	1T1B	0.7
HC4		A	1F98	0.7
HC4		A	1T19	0.7
HC4		X	1UWN	0.7
HC4		A,B,C,D,E,F, G,H	2O7F	0.7
HC4		A	1UGU	0.7
HC4		A	1TS8	0.7
HC4		A,B	1OTD	0.7
HC4		A	1OTE	0.7
HC4		A	1GSX	0.7
HC4		A	1TS7	0.7
HC4		A	2PYR	0.7
HC4		A	1S4S	0.7
HC4		A	1GSV	0.7
HC4		A	2I9V	0.7
HC4		A	2QWS	0.7
HC4		A	1XFN	0.7
HC4		A	1S4R	0.7
HC4		A	1T18	0.7
HC4		A	1OTA	0.7
HC4		A	1D7E	0.7
HC4		A	1S1Z	0.7
HC4		A,B,C	1MZU	0.7
HC4		A,B	1ODV	0.7
HC4		A,B	2J3J	0.7
HC4		A	2QJ5	0.7
HC4		A	1OTB	0.7
HC4		A	2D02	0.7
HC4		A	1OT9	0.7
HC4		A	1NWZ	0.7
HC4		A	1S1Y	0.7
4FC		A	1YSG	0.71
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	0.78
BEZ	BENZOIC ACID	A,B	2F8D	0.7
BEZ	BENZOIC ACID	A,B	1A8U	0.7
BEZ	BENZOIC ACID	A,B	1REE	0.7
BEZ	BENZOIC ACID	A	1L7Q	0.7
BEZ	BENZOIC ACID	A	1I69	0.7
BEZ	BENZOIC ACID	H,L	1RUL	0.7
BEZ	BENZOIC ACID	A,B	3CCF	0.7
BEZ	BENZOIC ACID	A	1W9Q	0.7
BEZ	BENZOIC ACID	A,B,G,J	2DU8	0.7
BEZ	BENZOIC ACID	H,L	1RUA	0.7
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H	1H4O	0.7
BEZ	BENZOIC ACID	H,L	1RU9	0.7
BEZ	BENZOIC ACID	A,B,C,D	2V32	0.7
BEZ	BENZOIC ACID	A	2QMQ	0.7
BEZ	BENZOIC ACID	A	1UKB	0.7
BEZ	BENZOIC ACID	A,B	1RED	0.7
BEZ	BENZOIC ACID	A,B	1OC3	0.7
BEZ	BENZOIC ACID	A,B	1REF	0.7
BEZ	BENZOIC ACID	A,B	2O02	0.7
BEZ	BENZOIC ACID	A,B	2VJ1	0.7
BEZ	BENZOIC ACID	A,B,C	1WSP	0.7
BEZ	BENZOIC ACID	A	1HZ4	0.7
BEZ	BENZOIC ACID	A	2Q38	0.7
BEZ	BENZOIC ACID	A,B,C,D	1UUJ	0.7
BEZ	BENZOIC ACID	A,B	2QL8	0.7
BEZ	BENZOIC ACID	A	2Q0I	0.7
BEZ	BENZOIC ACID	A,B	1S8F	0.7
BEZ	BENZOIC ACID	D,E,F,G,H	1DJR	0.7
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H,I	1ONI	0.7
BEZ	BENZOIC ACID	A,B,C,D	1I7Q	0.7
BEZ	BENZOIC ACID	A,B,C,D	2RHM	0.7
BEZ	BENZOIC ACID	A,B	2F78	0.7
BEZ	BENZOIC ACID	A,B	2VL2	0.7
BEZ	BENZOIC ACID	A	1HD2	0.7
BEZ	BENZOIC ACID	A	1JU4	0.7
BEZ	BENZOIC ACID	H,L	2AJY	0.7
BEZ	BENZOIC ACID	A,B,C	3GV1	0.7
BEZ	BENZOIC ACID	A	2Q6U	0.7
BEZ	BENZOIC ACID	A,B	1VE9	0.7
BEZ	BENZOIC ACID	A,B	1S9A	0.7
BEZ	BENZOIC ACID	H,L,M	1OP3	0.7
BEZ	BENZOIC ACID	A	1W9E	0.7
BEZ	BENZOIC ACID	A,B,C,D	2V2G	0.7
BEZ	BENZOIC ACID	H,L	2AK1	0.7
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H	2V41	0.7
BEZ	BENZOIC ACID	A,B	1GYX	0.7
BEZ	BENZOIC ACID	A	1V1T	0.7
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1YAJ	0.7
BEZ	BENZOIC ACID	A,B	1HKQ	0.7
BEZ	BENZOIC ACID	H,L	1RUK	0.7
BEZ	BENZOIC ACID	A	2Q1B	0.7
BEZ	BENZOIC ACID	H,L	1RUM	0.7
BEZ	BENZOIC ACID	A,B	2F7A	0.7
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H	1KIF	0.7
BEZ	BENZOIC ACID	A,B	2V7B	0.7
BEZ	BENZOIC ACID	H	1NCW	0.7
BEZ	BENZOIC ACID	A,B	1TMX	0.7
BEZ	BENZOIC ACID	A	1URM	0.7
BEZ	BENZOIC ACID	A	1W9O	0.7
BEZ	BENZOIC ACID	A,B,C,D	1GXS	0.7
BEZ	BENZOIC ACID	H	1RUP	0.7
BEZ	BENZOIC ACID	A,B,C,D	1KQB	0.7
BEZ	BENZOIC ACID	A	2Q9R	0.7
BEZ	BENZOIC ACID	D,H	2OK6	0.7
BEZ	BENZOIC ACID	A,B	2Q0J	0.7
26C		A,B	2F7I	0.71
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.71
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.71
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.71
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
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.81
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.7
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.72
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.74
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1F2W	0.7
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	2F14	0.7
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1BV3	0.7
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	2AW1	0.7
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1ZE8	0.7
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.71
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.72
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.7
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.7
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.7
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.76
MBO	MERCURIBENZOIC ACID	A	2QO8	0.7
MBO	MERCURIBENZOIC ACID	A	1LUG	0.7
MBO	MERCURIBENZOIC ACID	A	2HOC	0.7
MBO	MERCURIBENZOIC ACID	A	3EFI	0.7
MBO	MERCURIBENZOIC ACID	A	3BL0	0.7
MBO	MERCURIBENZOIC ACID	A,B,C,D,E,F	1NAQ	0.7
MBO	MERCURIBENZOIC ACID	A	3CAJ	0.7
MBO	MERCURIBENZOIC ACID	A	1DR7	0.7
MBO	MERCURIBENZOIC ACID	A	2HL4	0.7
MBO	MERCURIBENZOIC ACID	A	2GD8	0.7
MBO	MERCURIBENZOIC ACID	A	2QP6	0.7
MBO	MERCURIBENZOIC ACID	A	2HD6	0.7
MBO	MERCURIBENZOIC ACID	A	3C7P	0.7
MBO	MERCURIBENZOIC ACID	A,B	2JHN	0.7
MBO	MERCURIBENZOIC ACID	A	1DR6	0.7
MBO	MERCURIBENZOIC ACID	A	2HNC	0.7
MBO	MERCURIBENZOIC ACID	A	2QOA	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.76
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.72
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.71
FLP	FLURBIPROFEN	A,B	1CQE	0.71
FLP	FLURBIPROFEN	A,B	1EQH	0.71
FLP	FLURBIPROFEN	A,B	2AYL	0.71
FLP	FLURBIPROFEN	A	1DVT	0.71
FLP	FLURBIPROFEN	A	1R9O	0.71
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.81
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.81
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.74
23F	(2Z)-2-AMINO-3-PHENYLACRYLIC ACID	A	1VRZ	0.77
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.72
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.72
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
BFL		A,B	1Q4G	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.71
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.82
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.72
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.7
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.71
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.72