MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02745981

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
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.75
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.75
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.75
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.75
HCI	HYDROCINNAMIC ACID	A	1TOI	0.75
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.75
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.75
HBC	(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT- 2-YL)-PHENYL-METHANONE	H	1JGU	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.73
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.75
HBX	benzaldehyde	A,B	3GDN	0.82
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.72
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.74
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.74
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.74
BFL		A,B	1Q4G	0.71
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.83
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.84
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.84
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.84
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.84
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.84
FPR	PROPYLBENZENE	C	1RHK	0.74
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.85
BDB		A,B	1KE3	0.73
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.76
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.85
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.85
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.85
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.85
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
VK3	MENADIONE	A	1TUV	0.88
VK3	MENADIONE	A,B	2QR2	0.88
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.84
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.76
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.7
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.76
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.72
I4B	ISOBUTYLBENZENE	A	184L	0.74
1LP	TRANYLCYPROMINE	A,B	1OJB	0.82
AC0	1-PHENYLETHANONE	A	1ZK1	0.92
AC0	1-PHENYLETHANONE	A	1ZK4	0.92
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.85
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.85
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.85
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.85
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.85
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.85
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.85
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.85
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.85
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.85
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.85
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.74
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.74
OXE	ORTHO-XYLENE	A,B	3E0X	0.72
OXE	ORTHO-XYLENE	A	188L	0.72
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.74
3PL	3-PHENYLPROPANAL	E	1Y3G	0.83
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.82
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.78
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
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.88
MBN	TOLUENE	A,B	3D7O	0.71
MBN	TOLUENE	A,B	1R1X	0.71
MBN	TOLUENE	A,B	1JLX	0.71
MBN	TOLUENE	A,B,C,D	3D17	0.71
MBN	TOLUENE	A,B	2VRL	0.71
MBN	TOLUENE	A,I	2Z3E	0.71
MBN	TOLUENE	A,B	1YZI	0.71
MBN	TOLUENE	A,B	2DN1	0.71
MBN	TOLUENE	A,B	3EN1	0.71
PXY	PARA-XYLENE	A	187L	0.71
PXY	PARA-XYLENE	A	225L	0.71
KTP	(2-NAPHTHALEN-2-YL-1-NAPHTHALEN- 1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID	A,B	1KYN	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
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.74
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.93
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.93
N4B	N-BUTYLBENZENE	A	186L	0.74
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.76
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.73
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.7
PYL	PHENYLETHANE	C	1B07	0.74
PYL	PHENYLETHANE	A,B	2VRM	0.74
PYL	PHENYLETHANE	A	1NHB	0.74
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.91
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.73
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.73
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.73
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.74
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.74
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.74
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.8
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.8
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.8
PAC	2-PHENYLACETIC ACID	B	1PNL	0.74
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.74
PAC	2-PHENYLACETIC ACID	B	1FXH	0.74
PAC	2-PHENYLACETIC ACID	A	2ISF	0.74
PAC	2-PHENYLACETIC ACID	A	2INE	0.74
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.74
IBP	IBUPROFEN	A	3FKX	0.71
IBP	IBUPROFEN	A,B	2BXG	0.71
IBP	IBUPROFEN	A,B	1EQG	0.71
IBP	IBUPROFEN	A,B,C	2WD9	0.71
IBP	IBUPROFEN	A	2PWS	0.71
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.76
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.85
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.85
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.85
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.85
PQN	PHYLLOQUINONE	0,1,2,3,4,5, 6,7,8,9,A,B, C,F,G,H,J,K, L,P,Q,R,U,V, W,Z	1QZV	0.85
C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid	A	2RHW	0.73
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.76
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.72