MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02252664

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
1LP	TRANYLCYPROMINE	A,B	1OJB	0.87
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.89
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.89
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.89
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.89
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.89
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.74
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.72
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.72
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1DPM	0.73
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6B	0.73
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1PSC	0.73
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	3E3H	0.73
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1QW7	0.73
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6C	0.73
OXE	ORTHO-XYLENE	A,B	3E0X	0.74
OXE	ORTHO-XYLENE	A	188L	0.74
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.73
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.73
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.73
MBN	TOLUENE	A,B	3D7O	0.75
MBN	TOLUENE	A,B	1R1X	0.75
MBN	TOLUENE	A,B	1JLX	0.75
MBN	TOLUENE	A,B,C,D	3D17	0.75
MBN	TOLUENE	A,B	2VRL	0.75
MBN	TOLUENE	A,I	2Z3E	0.75
MBN	TOLUENE	A,B	1YZI	0.75
MBN	TOLUENE	A,B	2DN1	0.75
MBN	TOLUENE	A,B	3EN1	0.75
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.74
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.74
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.74
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.74
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.74
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.74
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.74
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.74
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.74
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.74
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.74
VK3	MENADIONE	A	1TUV	0.76
VK3	MENADIONE	A,B	2QR2	0.76
3PL	3-PHENYLPROPANAL	E	1Y3G	0.9
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.79
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.79
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.74
PYL	PHENYLETHANE	C	1B07	0.76
PYL	PHENYLETHANE	A,B	2VRM	0.76
PYL	PHENYLETHANE	A	1NHB	0.76
I4B	ISOBUTYLBENZENE	A	184L	0.74
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.74
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.74
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.74
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.74
N4B	N-BUTYLBENZENE	A	186L	0.76
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.83
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
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.82
AC0	1-PHENYLETHANONE	A	1ZK1	0.84
AC0	1-PHENYLETHANONE	A	1ZK4	0.84
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.74
PXY	PARA-XYLENE	A	187L	0.76
PXY	PARA-XYLENE	A	225L	0.76
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.76
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.71
PSS	ETHYLAMINOBENZYLMETHYLCARBONYL GROUP	A	1EAG	0.71
PHA	PHENYLALANINAL	A,B	1OB2	0.74
PHA	PHENYLALANINAL	V,Y,Z	2WDG	0.74
PHA	PHENYLALANINAL	V,Y,Z	2WDK	0.74
PHA	PHENYLALANINAL	1,2,4,5,A,B, C,D,E,J,K,L, M,N,O,P,R,S, T,U,V,Z	1M90	0.74
PHA	PHENYLALANINAL	P	3SGA	0.74
PHA	PHENYLALANINAL	A,B,C,D,E,F	1OB5	0.74
PHA	PHENYLALANINAL	V,Y,Z	2WDM	0.74
PHA	PHENYLALANINAL	0,2,4,9,A,B, C,H,I,J,K,L, M,N,P,Q,R,S, T,X,Y,Z	1KQS	0.74
PHA	PHENYLALANINAL	A,B	1KDV	0.74
PHA	PHENYLALANINAL	1,2,4,5,6,A, B,C,D,E,J,K, L,M,N,O,P,R, S,T,U,V,Z	1Q86	0.74
PHA	PHENYLALANINAL	A,B	1KDY	0.74
PHA	PHENYLALANINAL	V,Y,Z	3FIC	0.74
PHA	PHENYLALANINAL	V,Y,Z	2WDH	0.74
PHA	PHENYLALANINAL	A,B	1KE2	0.74
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.75
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.75
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.75
HBX	benzaldehyde	A,B	3GDN	0.89
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.71
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.71
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.74
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.74
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.74
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.74
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.74
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	0.74
FPR	PROPYLBENZENE	C	1RHK	0.76
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
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.72
2IB	2-IODOBENZYL GROUP	I,J,K,L,M,N, O,P	1GUL	0.71