MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02358280

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
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.78
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.74
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.78
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.77
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A	1NX3	0.7
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A,B	1ALW	0.7
BFL		A,B	1Q4G	0.76
PAC	2-PHENYLACETIC ACID	B	1PNL	0.8
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.8
PAC	2-PHENYLACETIC ACID	B	1FXH	0.8
PAC	2-PHENYLACETIC ACID	A	2ISF	0.8
PAC	2-PHENYLACETIC ACID	A	2INE	0.8
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.73
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.72
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.77
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.77
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.73
24I	(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID	A	2C6C	0.75
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.71
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.71
1NH	(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE	B	1O1S	0.74
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.71
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.74
FLP	FLURBIPROFEN	A,B	1CQE	0.74
FLP	FLURBIPROFEN	A,B	1EQH	0.74
FLP	FLURBIPROFEN	A,B	2AYL	0.74
FLP	FLURBIPROFEN	A	1DVT	0.74
FLP	FLURBIPROFEN	A	1R9O	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.75
SMN	(S)-MANDELIC ACID	A	1MDL	0.73
4CB	4-CARBOXYPHENYLBORONIC ACID	A,B	1KDW	0.71
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.77
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.77
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.77
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.77
HCI	HYDROCINNAMIC ACID	A	1TOI	0.77
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.77
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.77
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.76
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.71
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.71
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.71
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.72
256	PHENYL(SULFO)ACETIC ACID	A	1O4Q	0.73
3PL	3-PHENYLPROPANAL	E	1Y3G	0.7
BEY	(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]- 2-benzylpropanoic acid	A	3EBI	0.73
1LP	TRANYLCYPROMINE	A,B	1OJB	0.7
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.76
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	A,L,M	3FEA	0.72
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	P	1CWD	0.72
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	L	3FE7	0.72
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	B	2GV2	0.72
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	B,D	1CWE	0.72
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.73
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.73
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.73
791	2-PHENYLMALONIC ACID	A	1O4P	0.76
RMN	(R)-MANDELIC ACID	A	1MDL	0.73
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.73
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.77
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.77
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A	2NNV	0.74
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A,B	2NN7	0.74
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	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.76
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	0.76
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	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.76
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
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.71
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.71
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.71
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.71
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.71
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.71
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1DPM	0.76
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6B	0.76
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1PSC	0.76
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	3E3H	0.76
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1QW7	0.76
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6C	0.76
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.76
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.76
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.76
IBP	IBUPROFEN	A	3FKX	0.79
IBP	IBUPROFEN	A,B	2BXG	0.79
IBP	IBUPROFEN	A,B	1EQG	0.79
IBP	IBUPROFEN	A,B,C	2WD9	0.79
IBP	IBUPROFEN	A	2PWS	0.79
CP5	(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE	A	1SCW	0.88
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.79
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.79
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.79
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IPW	0.7
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IS7	0.7