MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00019242

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
C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid	A	2RHW	0.79
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.82
4FC		A	1YSG	0.71
200	4-CHLORO-L-PHENYLALANINE	A,B	2AKW	0.7
34Z	3,4-dichlorobenzoate	X	2QVY	0.83
34Z	3,4-dichlorobenzoate	X	2QW0	0.83
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.82
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.7
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.7
VK3	MENADIONE	A	1TUV	0.71
VK3	MENADIONE	A,B	2QR2	0.71
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.74
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.74
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.74
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.74
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.74
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
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.73
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.78
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B	1KDG	0.71
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B,C,D	1O9L	0.71
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFK	0.78
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFQ	0.78
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1Z9Y	0.78
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZH9	0.78
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGE	0.78
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGF	0.78
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1F2W	0.77
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	2F14	0.77
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1BV3	0.77
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	2AW1	0.77
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1ZE8	0.77
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IPW	0.79
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IS7	0.79
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.71
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.79
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.75
DIC	3,4-DICHLOROISOCOUMARIN	A	1DIC	0.72
TMM	1,3,5-BENZENETRICARBOXYLIC ACID	A,B,C,D	1SDL	0.72
TMM	1,3,5-BENZENETRICARBOXYLIC ACID	A,B,C,D	1SDK	0.72
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.76
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.76
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.76
4CB	4-CARBOXYPHENYLBORONIC ACID	A,B	1KDW	0.76
BEZ	BENZOIC ACID	A,B	2F8D	0.77
BEZ	BENZOIC ACID	A,B	1A8U	0.77
BEZ	BENZOIC ACID	A,B	1REE	0.77
BEZ	BENZOIC ACID	A	1L7Q	0.77
BEZ	BENZOIC ACID	A	1I69	0.77
BEZ	BENZOIC ACID	H,L	1RUL	0.77
BEZ	BENZOIC ACID	A,B	3CCF	0.77
BEZ	BENZOIC ACID	A	1W9Q	0.77
BEZ	BENZOIC ACID	A,B,G,J	2DU8	0.77
BEZ	BENZOIC ACID	H,L	1RUA	0.77
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H	1H4O	0.77
BEZ	BENZOIC ACID	H,L	1RU9	0.77
BEZ	BENZOIC ACID	A,B,C,D	2V32	0.77
BEZ	BENZOIC ACID	A	2QMQ	0.77
BEZ	BENZOIC ACID	A	1UKB	0.77
BEZ	BENZOIC ACID	A,B	1RED	0.77
BEZ	BENZOIC ACID	A,B	1OC3	0.77
BEZ	BENZOIC ACID	A,B	1REF	0.77
BEZ	BENZOIC ACID	A,B	2O02	0.77
BEZ	BENZOIC ACID	A,B	2VJ1	0.77
BEZ	BENZOIC ACID	A,B,C	1WSP	0.77
BEZ	BENZOIC ACID	A	1HZ4	0.77
BEZ	BENZOIC ACID	A	2Q38	0.77
BEZ	BENZOIC ACID	A,B,C,D	1UUJ	0.77
BEZ	BENZOIC ACID	A,B	2QL8	0.77
BEZ	BENZOIC ACID	A	2Q0I	0.77
BEZ	BENZOIC ACID	A,B	1S8F	0.77
BEZ	BENZOIC ACID	D,E,F,G,H	1DJR	0.77
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H,I	1ONI	0.77
BEZ	BENZOIC ACID	A,B,C,D	1I7Q	0.77
BEZ	BENZOIC ACID	A,B,C,D	2RHM	0.77
BEZ	BENZOIC ACID	A,B	2F78	0.77
BEZ	BENZOIC ACID	A,B	2VL2	0.77
BEZ	BENZOIC ACID	A	1HD2	0.77
BEZ	BENZOIC ACID	A	1JU4	0.77
BEZ	BENZOIC ACID	H,L	2AJY	0.77
BEZ	BENZOIC ACID	A,B,C	3GV1	0.77
BEZ	BENZOIC ACID	A	2Q6U	0.77
BEZ	BENZOIC ACID	A,B	1VE9	0.77
BEZ	BENZOIC ACID	A,B	1S9A	0.77
BEZ	BENZOIC ACID	H,L,M	1OP3	0.77
BEZ	BENZOIC ACID	A	1W9E	0.77
BEZ	BENZOIC ACID	A,B,C,D	2V2G	0.77
BEZ	BENZOIC ACID	H,L	2AK1	0.77
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H	2V41	0.77
BEZ	BENZOIC ACID	A,B	1GYX	0.77
BEZ	BENZOIC ACID	A	1V1T	0.77
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1YAJ	0.77
BEZ	BENZOIC ACID	A,B	1HKQ	0.77
BEZ	BENZOIC ACID	H,L	1RUK	0.77
BEZ	BENZOIC ACID	A	2Q1B	0.77
BEZ	BENZOIC ACID	H,L	1RUM	0.77
BEZ	BENZOIC ACID	A,B	2F7A	0.77
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H	1KIF	0.77
BEZ	BENZOIC ACID	A,B	2V7B	0.77
BEZ	BENZOIC ACID	H	1NCW	0.77
BEZ	BENZOIC ACID	A,B	1TMX	0.77
BEZ	BENZOIC ACID	A	1URM	0.77
BEZ	BENZOIC ACID	A	1W9O	0.77
BEZ	BENZOIC ACID	A,B,C,D	1GXS	0.77
BEZ	BENZOIC ACID	H	1RUP	0.77
BEZ	BENZOIC ACID	A,B,C,D	1KQB	0.77
BEZ	BENZOIC ACID	A	2Q9R	0.77
BEZ	BENZOIC ACID	D,H	2OK6	0.77
BEZ	BENZOIC ACID	A,B	2Q0J	0.77
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
3BZ	3-chlorobenzoate	X	2QVZ	0.85
3BZ	3-chlorobenzoate	X	2QVX	0.85
AC0	1-PHENYLETHANONE	A	1ZK1	0.76
AC0	1-PHENYLETHANONE	A	1ZK4	0.76
3CA		A,B	2B77	0.71
CS4	S-[3-(3,4-DICHLOROPHENYL)-3-OXOPROPYL]- L-CYSTEINE	A	2OQZ	0.73
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.71
B3I	2,3,5-TRIIODOBENZOIC ACID	A	1BKE	0.72
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.75
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.71
FBC		A,B	2B9A	0.7
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.87
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.87
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.75
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.75
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.85
HSI	(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID	A	2Z2D	0.78
MBO	MERCURIBENZOIC ACID	A	2QO8	0.77
MBO	MERCURIBENZOIC ACID	A	1LUG	0.77
MBO	MERCURIBENZOIC ACID	A	2HOC	0.77
MBO	MERCURIBENZOIC ACID	A	3EFI	0.77
MBO	MERCURIBENZOIC ACID	A	3BL0	0.77
MBO	MERCURIBENZOIC ACID	A,B,C,D,E,F	1NAQ	0.77
MBO	MERCURIBENZOIC ACID	A	3CAJ	0.77
MBO	MERCURIBENZOIC ACID	A	1DR7	0.77
MBO	MERCURIBENZOIC ACID	A	2HL4	0.77
MBO	MERCURIBENZOIC ACID	A	2GD8	0.77
MBO	MERCURIBENZOIC ACID	A	2QP6	0.77
MBO	MERCURIBENZOIC ACID	A	2HD6	0.77
MBO	MERCURIBENZOIC ACID	A	3C7P	0.77
MBO	MERCURIBENZOIC ACID	A,B	2JHN	0.77
MBO	MERCURIBENZOIC ACID	A	1DR6	0.77
MBO	MERCURIBENZOIC ACID	A	2HNC	0.77
MBO	MERCURIBENZOIC ACID	A	2QOA	0.77
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.73
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.73
AFI	2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE	A,B	1UUM	0.72
FE3	4-(2-aminoethyl)-3-chlorobenzoic acid	A,B	2K1Q	0.74
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.75
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.75
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.75
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.74
PHT	PHTHALIC ACID	A,B,C	2B7P	0.74
PHT	PHTHALIC ACID	A	3C2V	0.74
PHT	PHTHALIC ACID	A,B,C,D,E,F	1QPR	0.74
PHT	PHTHALIC ACID	A,B	3C2R	0.74
26C		A,B	2F7I	0.7
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.73
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
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.71
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3C3U	0.71
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3CV7	0.71