MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03025163

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
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.77
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.77
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.73
PMA	PYROMELLITIC ACID	A,B	1FUP	0.7
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
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.72
HSI	(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID	A	2Z2D	0.88
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
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.73
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.73
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.73
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.73
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.75
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
TRZ	TRAZEOLIDE	A	1C12	0.82
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
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.73
34Z	3,4-dichlorobenzoate	X	2QVY	0.76
34Z	3,4-dichlorobenzoate	X	2QW0	0.76
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IPW	0.79
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IS7	0.79
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.7
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.71
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
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
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.75
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.79
AFI	2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE	A,B	1UUM	0.74
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.78
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.78
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.78
FE3	4-(2-aminoethyl)-3-chlorobenzoic acid	A,B	2K1Q	0.77
3BZ	3-chlorobenzoate	X	2QVZ	0.79
3BZ	3-chlorobenzoate	X	2QVX	0.79
4FC		A	1YSG	0.72
3CA		A,B	2B77	0.71
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
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.7
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.7
4AF	4-ACETYL-L-PHENYLALANINE	A	1ZH6	0.71
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.75
FCL	3-CHLORO-L-PHENYLALANINE	E,F	1OKW	0.71
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
FBC		A,B	2B9A	0.72
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.73
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.73
BFL		A,B	1Q4G	0.72
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.72
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.74
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.74
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.74
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.76
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFK	0.71
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFQ	0.71
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1Z9Y	0.71
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZH9	0.71
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGE	0.71
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGF	0.71
PHT	PHTHALIC ACID	A,B,C	2B7P	0.73
PHT	PHTHALIC ACID	A	3C2V	0.73
PHT	PHTHALIC ACID	A,B,C,D,E,F	1QPR	0.73
PHT	PHTHALIC ACID	A,B	3C2R	0.73
26C		A,B	2F7I	0.72
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.7